N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide

C27H35N3O3 — CID 91904567

IUPACN-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1c(OCC2CC2)cc(=O)n2c1CCCCC2
InChIInChI=1S/C27H35N3O3/c31-25-17-24(33-19-21-10-11-21)26(23-9-5-2-6-14-30(23)25)27(32)28-22-12-15-29(16-13-22)18-20-7-3-1-4-8-20/h1,3-4,7-8,17,21-22H,2,5-6,9-16,18-19H2,(H,28,32)
InChIKeyWUYBJHIEGYXZEV-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.76
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide

N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide (PubChem CID 91904567) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
PubChem CID91904567
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1c(OCC2CC2)cc(=O)n2c1CCCCC2
InChIInChI=1S/C27H35N3O3/c31-25-17-24(33-19-21-10-11-21)26(23-9-5-2-6-14-30(23)25)27(32)28-22-12-15-29(16-13-22)18-20-7-3-1-4-8-20/h1,3-4,7-8,17,21-22H,2,5-6,9-16,18-19H2,(H,28,32)
InChIKeyWUYBJHIEGYXZEV-UHFFFAOYSA-N
XLogP3.76
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide with MolForge

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Related Compounds

2-ethoxy-4-oxo-N-(3-piperidin-1-ylpropyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
CID 91914328
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CID 2729529
N-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 42227002
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
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N-(1-benzylpiperidin-4-yl)-1-[(3,4-difluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindole-2-carboxamide
CID 42792430
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide
CID 15167739
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
N-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20908801
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
1-(1-benzylpiperidin-4-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 38886852

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide (CID 91904567) is N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1c(OCC2CC2)cc(=O)n2c1CCCCC2.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
The InChIKey is WUYBJHIEGYXZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c31-25-17-24(33-19-21-10-11-21)26(23-9-5-2-6-14-30(23)25)27(32)28-22-12-15-29(16-13-22)18-20-7-3-1-4-8-20/h1,3-4,7-8,17,21-22H,2,5-6,9-16,18-19H2,(H,28,32).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide is sourced from PubChem (CID 91904567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).