3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide

C21H26N4O2 — CID 155958351

IUPAC3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide
SMILESCc1cccc(C(=O)N[C@@H]2CCCN(C(=O)C3CCc4nccn4C3)C2)c1
InChIInChI=1S/C21H26N4O2/c1-15-4-2-5-16(12-15)20(26)23-18-6-3-10-25(14-18)21(27)17-7-8-19-22-9-11-24(19)13-17/h2,4-5,9,11-12,17-18H,3,6-8,10,13-14H2,1H3,(H,23,26)/t17?,18-/m1/s1
InChIKeyWJARYQKPJAKFAT-QRWMCTBCSA-N
MW366.47 g/mol
LogP2.17
Rot. Bonds3

About 3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide

3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide (PubChem CID 155958351) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide
PubChem CID155958351
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide
SMILESCc1cccc(C(=O)N[C@@H]2CCCN(C(=O)C3CCc4nccn4C3)C2)c1
InChIInChI=1S/C21H26N4O2/c1-15-4-2-5-16(12-15)20(26)23-18-6-3-10-25(14-18)21(27)17-7-8-19-22-9-11-24(19)13-17/h2,4-5,9,11-12,17-18H,3,6-8,10,13-14H2,1H3,(H,23,26)/t17?,18-/m1/s1
InChIKeyWJARYQKPJAKFAT-QRWMCTBCSA-N
XLogP2.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide with MolForge

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Related Compounds

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CID 966011
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CID 95771822
3-(imidazol-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide
CID 154775636
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N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide
CID 25448585
2-(3-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopropane-1-carboxamide
CID 86768243
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone
CID 166649767
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]thiophene-3-carboxamide
CID 95136995
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)furan-3-carboxamide
CID 86771954
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide?
The IUPAC name of 3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide (CID 155958351) is 3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide?
The canonical SMILES for 3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide is Cc1cccc(C(=O)N[C@@H]2CCCN(C(=O)C3CCc4nccn4C3)C2)c1.
What is the InChIKey of 3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide?
The InChIKey is WJARYQKPJAKFAT-QRWMCTBCSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-4-2-5-16(12-15)20(26)23-18-6-3-10-25(14-18)21(27)17-7-8-19-22-9-11-24(19)13-17/h2,4-5,9,11-12,17-18H,3,6-8,10,13-14H2,1H3,(H,23,26)/t17?,18-/m1/s1.
What are the key properties of 3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide?
3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide has a molecular weight of 366.47 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 155958351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).