4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide

C22H29N5O3 — CID 86964429

IUPAC4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide
SMILESCc1cccc(N2CCC(NC(=O)N3CCN(C(=O)c4ccc(C)o4)CC3)CC2)n1
InChIInChI=1S/C22H29N5O3/c1-16-4-3-5-20(23-16)25-10-8-18(9-11-25)24-22(29)27-14-12-26(13-15-27)21(28)19-7-6-17(2)30-19/h3-7,18H,8-15H2,1-2H3,(H,24,29)
InChIKeyUKFXWROGEZSDMJ-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.43
Rot. Bonds3

About 4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide

4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide (PubChem CID 86964429) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide
PubChem CID86964429
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide
SMILESCc1cccc(N2CCC(NC(=O)N3CCN(C(=O)c4ccc(C)o4)CC3)CC2)n1
InChIInChI=1S/C22H29N5O3/c1-16-4-3-5-20(23-16)25-10-8-18(9-11-25)24-22(29)27-14-12-26(13-15-27)21(28)19-7-6-17(2)30-19/h3-7,18H,8-15H2,1-2H3,(H,24,29)
InChIKeyUKFXWROGEZSDMJ-UHFFFAOYSA-N
XLogP2.43
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-methyl-6-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide
CID 71996598
(2S)-2-ethyl-2-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine-4-carboxamide
CID 99824847
N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 138378584
2-amino-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide
CID 120800744
1-N-(3-methylphenyl)-4-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1,4-dicarboxamide
CID 86964133
1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
CID 96518828
[3-(methylamino)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 81466961
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43461990
methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 62007370
1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133313226
1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 111506438
(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 80661568

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide (CID 86964429) is 4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide is Cc1cccc(N2CCC(NC(=O)N3CCN(C(=O)c4ccc(C)o4)CC3)CC2)n1.
What is the InChIKey of 4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide?
The InChIKey is UKFXWROGEZSDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-16-4-3-5-20(23-16)25-10-8-18(9-11-25)24-22(29)27-14-12-26(13-15-27)21(28)19-7-6-17(2)30-19/h3-7,18H,8-15H2,1-2H3,(H,24,29).
What are the key properties of 4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide?
4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 86964429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).