6-[4-(4-carbamoylpiperidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen

C74H89N13O8 — CID 157464120

IUPAC6-[4-(4-carbamoylpiperidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
SMILESCc1ncc(-c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2ccc(C(=O)N3CCC(CO)CC3)cc2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2ccc(C(=O)N3CCCCC3)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H25N5O3.C25H26N4O3.C24H24N4O2.7H2/c1-16-22(24(32)28-20-5-3-2-4-6-20)29-21(15-27-16)17-7-9-19(10-8-17)25(33)30-13-11-18(12-14-30)23(26)31;1-17-23(24(31)27-21-5-3-2-4-6-21)28-22(15-26-17)19-7-9-20(10-8-19)25(32)29-13-11-18(16-30)12-14-29;1-17-22(23(29)26-20-8-4-2-5-9-20)27-21(16-25-17)18-10-12-19(13-11-18)24(30)28-14-6-3-7-15-28;;;;;;;/h2-10,15,18H,11-14H2,1H3,(H2,26,31)(H,28,32);2-10,15,18,30H,11-14,16H2,1H3,(H,27,31);2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,26,29);7*1H
InChIKeyBUGRRFCOXBCZBX-UHFFFAOYSA-N
MW1288.61 g/mol
LogP12.64
Rot. Bonds14

About 6-[4-(4-carbamoylpiperidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen

6-[4-(4-carbamoylpiperidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen (PubChem CID 157464120) has the molecular formula C74H89N13O8 and a molecular weight of 1288.61 g/mol. Its IUPAC name is 6-[4-(4-carbamoylpiperidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name6-[4-(4-carbamoylpiperidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
PubChem CID157464120
Molecular FormulaC74H89N13O8
Molecular Weight1288.61 g/mol
Exact Mass1287.70
IUPAC Name6-[4-(4-carbamoylpiperidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
SMILESCc1ncc(-c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2ccc(C(=O)N3CCC(CO)CC3)cc2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2ccc(C(=O)N3CCCCC3)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H25N5O3.C25H26N4O3.C24H24N4O2.7H2/c1-16-22(24(32)28-20-5-3-2-4-6-20)29-21(15-27-16)17-7-9-19(10-8-17)25(33)30-13-11-18(12-14-30)23(26)31;1-17-23(24(31)27-21-5-3-2-4-6-21)28-22(15-26-17)19-7-9-20(10-8-19)25(32)29-13-11-18(16-30)12-14-29;1-17-22(23(29)26-20-8-4-2-5-9-20)27-21(16-25-17)18-10-12-19(13-11-18)24(30)28-14-6-3-7-15-28;;;;;;;/h2-10,15,18H,11-14H2,1H3,(H2,26,31)(H,28,32);2-10,15,18,30H,11-14,16H2,1H3,(H,27,31);2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,26,29);7*1H
InChIKeyBUGRRFCOXBCZBX-UHFFFAOYSA-N
XLogP12.64
TPSA288.89 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001288.61
LogP ≤ 512.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 6-[4-(4-carbamoylpiperidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen with MolForge

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Related Compounds

5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]pyridine-2-carboxamide
CID 24916864
3-amino-6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide
CID 59472038
6-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
CID 71262787
N-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-6-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperidine-1-carbonyl]pyridine-3-carboxamide
CID 89843758
4-[5-[[2-[4-(2-benzamidoacetyl)piperazin-1-yl]benzoyl]amino]pyridin-2-yl]-2-[4-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-N-pyridin-3-ylbenzamide
CID 90891347
(2S)-1-(4-benzylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(2S)-1-(4-benzylpiperazin-1-yl)-3-phenyl-2-(pyridin-4-ylmethylamino)propan-1-one;pyridine-4-carbaldehyde
CID 157490319
1-(3-amino-6-cyclohexyl-2-pyridinyl)-2-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]ethanone;1-(3-amino-6-cyclohexyl-2-pyridinyl)-2-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]ethanone;1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone;2-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-1-[5-fluoro-6-(2-fluorophenyl)-2-pyridinyl]ethanone
CID 157727610
(2S)-1-(4-benzylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(2S)-1-(4-benzylpiperazin-1-yl)-3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-one;pyridine-3-carbaldehyde
CID 158092086
N-[4-[1-[2-(butylamino)-2-oxo-1-phenylethyl]piperidin-4-yl]phenyl]-2-[4-(1,1-difluoroethyl)phenyl]benzamide;2-[4-(1,1-difluoroethyl)phenyl]-N-[4-[1-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]piperidin-4-yl]phenyl]benzamide;2-[4-(1,1-difluoroethyl)phenyl]-N-[4-[1-[2-oxo-2-(pentylamino)-1-phenylethyl]piperidin-4-yl]phenyl]benzamide;2-[4-(1,1-difluoroethyl)phenyl]-N-[4-[1-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperidin-4-yl]phenyl]benzamide;2-[4-(1,1-difluoroethyl)phenyl]-N-[4-[1-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-yl]phenyl]benzamide
CID 158397935
N-(3-cyclohexa-2,4-dien-1-yl-3-phenylpropyl)isoquinoline-1-carboxamide;N-(3,3-diphenylpropyl)-5-methylpyrazine-2-carboxamide;N-(3,3-diphenylpropyl)pyrazine-2-carboxamide;N-(3,3-diphenylpropyl)quinoline-4-carboxamide;N-(3,3-diphenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 158705068
[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone);[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone);formic acid
CID 159736206
(2S)-1-(4-benzylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(2S)-1-(4-benzylpiperazin-1-yl)-3-phenyl-2-(pyridin-2-ylmethylamino)propan-1-one;pyridine-2-carbaldehyde
CID 160266502

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-carbamoylpiperidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of 6-[4-(4-carbamoylpiperidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen (CID 157464120) is 6-[4-(4-carbamoylpiperidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 6-[4-(4-carbamoylpiperidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 6-[4-(4-carbamoylpiperidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen is Cc1ncc(-c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2ccc(C(=O)N3CCC(CO)CC3)cc2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2ccc(C(=O)N3CCCCC3)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 6-[4-(4-carbamoylpiperidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is BUGRRFCOXBCZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3.C25H26N4O3.C24H24N4O2.7H2/c1-16-22(24(32)28-20-5-3-2-4-6-20)29-21(15-27-16)17-7-9-19(10-8-17)25(33)30-13-11-18(12-14-30)23(26)31;1-17-23(24(31)27-21-5-3-2-4-6-21)28-22(15-26-17)19-7-9-20(10-8-19)25(32)29-13-11-18(16-30)12-14-29;1-17-22(23(29)26-20-8-4-2-5-9-20)27-21(16-25-17)18-10-12-19(13-11-18)24(30)28-14-6-3-7-15-28;;;;;;;/h2-10,15,18H,11-14H2,1H3,(H2,26,31)(H,28,32);2-10,15,18,30H,11-14,16H2,1H3,(H,27,31);2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,26,29);7*1H.
What are the key properties of 6-[4-(4-carbamoylpiperidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
6-[4-(4-carbamoylpiperidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 1288.61 g/mol, XLogP of 12.64, 14 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-carbamoylpiperidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 157464120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).