N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide

C17H22N2O2 — CID 108971956

IUPACN-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1)C1(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H22N2O2/c20-15(18-13-14-7-3-1-4-8-14)17(9-10-17)16(21)19-11-5-2-6-12-19/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,20)
InChIKeyIBFSPQSXZOOOKS-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.10
Rot. Bonds4

About N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide

N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108971956) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108971956
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1)C1(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H22N2O2/c20-15(18-13-14-7-3-1-4-8-14)17(9-10-17)16(21)19-11-5-2-6-12-19/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,20)
InChIKeyIBFSPQSXZOOOKS-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(azepane-1-carbonyl)-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide
CID 108976074
1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974620
1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 108975819
1-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 108976967
N-benzylazonane-1-carboxamide
CID 130689649
1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 108974430
[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 108972015
N-benzyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropane-1-carboxamide
CID 108974778
1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974583
N-[(3-methylphenyl)methyl]-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973043
1-(azepane-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 108975396
ethyl 4-[1-[(4-methylphenyl)methylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108975230

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide (CID 108971956) is N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide is O=C(NCc1ccccc1)C1(C(=O)N2CCCCC2)CC1.
What is the InChIKey of N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is IBFSPQSXZOOOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-15(18-13-14-7-3-1-4-8-14)17(9-10-17)16(21)19-11-5-2-6-12-19/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,20).
What are the key properties of N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108971956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).