6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide

C34H37F3N4O5 — CID 66710720

IUPAC6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)N(C)C4CCN(Cc5ccc(OC(F)(F)F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C34H37F3N4O5/c1-39(27-15-17-40(18-16-27)22-23-3-8-29(9-4-23)46-34(35,36)37)32(43)26-7-12-30(38-21-26)33(44)41-19-13-25(14-20-41)31(42)24-5-10-28(45-2)11-6-24/h3-12,21,25,27H,13-20,22H2,1-2H3
InChIKeyMEOATWALOAIMIC-UHFFFAOYSA-N
MW638.69 g/mol
LogP5.46
Rot. Bonds9

About 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide

6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 66710720) has the molecular formula C34H37F3N4O5 and a molecular weight of 638.69 g/mol. Its IUPAC name is 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID66710720
Molecular FormulaC34H37F3N4O5
Molecular Weight638.69 g/mol
Exact Mass638.27
IUPAC Name6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)N(C)C4CCN(Cc5ccc(OC(F)(F)F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C34H37F3N4O5/c1-39(27-15-17-40(18-16-27)22-23-3-8-29(9-4-23)46-34(35,36)37)32(43)26-7-12-30(38-21-26)33(44)41-19-13-25(14-20-41)31(42)24-5-10-28(45-2)11-6-24/h3-12,21,25,27H,13-20,22H2,1-2H3
InChIKeyMEOATWALOAIMIC-UHFFFAOYSA-N
XLogP5.46
TPSA92.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.69
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone
CID 58073229
2-[(3R,5S)-3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 161466612
[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093506
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073222
6-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 123884987
N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66710292
[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093441
2-[(3S)-3-fluoro-1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073404
N-[(3S,4S)-3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710536
(4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 24688123
N-[(3S,4S)-1-[(4-cyano-3-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66710728
1-[6-[4-(4-isocyanophenoxy)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone
CID 58073293

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 66710720) is 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)N(C)C4CCN(Cc5ccc(OC(F)(F)F)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is MEOATWALOAIMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37F3N4O5/c1-39(27-15-17-40(18-16-27)22-23-3-8-29(9-4-23)46-34(35,36)37)32(43)26-7-12-30(38-21-26)33(44)41-19-13-25(14-20-41)31(42)24-5-10-28(45-2)11-6-24/h3-12,21,25,27H,13-20,22H2,1-2H3.
What are the key properties of 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 638.69 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 66710720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).