N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide

C17H24N2O — CID 63005682

IUPACN-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCC(c2ccccc2)CC1)C1CCNC1
InChIInChI=1S/C17H24N2O/c20-17(15-10-11-18-12-15)19-16-8-6-14(7-9-16)13-4-2-1-3-5-13/h1-5,14-16,18H,6-12H2,(H,19,20)
InChIKeyMIUJFUAQPOBFFP-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.44
Rot. Bonds3

About N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide

N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide (PubChem CID 63005682) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide
PubChem CID63005682
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCC(c2ccccc2)CC1)C1CCNC1
InChIInChI=1S/C17H24N2O/c20-17(15-10-11-18-12-15)19-16-8-6-14(7-9-16)13-4-2-1-3-5-13/h1-5,14-16,18H,6-12H2,(H,19,20)
InChIKeyMIUJFUAQPOBFFP-UHFFFAOYSA-N
XLogP2.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 171930235
N-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride
CID 119700260
N-(4-phenylcyclohexyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119716224
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703069
2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453044
3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119716211
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 63005959
N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119812040
4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119535763
2-(4-phenylcyclohexyl)-N-piperidin-3-ylacetamide;hydrochloride
CID 119427918
N-(2,3-dihydro-1H-inden-2-yl)piperidine-4-carboxamide
CID 68885469

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide (CID 63005682) is N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide is O=C(NC1CCC(c2ccccc2)CC1)C1CCNC1.
What is the InChIKey of N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide?
The InChIKey is MIUJFUAQPOBFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(15-10-11-18-12-15)19-16-8-6-14(7-9-16)13-4-2-1-3-5-13/h1-5,14-16,18H,6-12H2,(H,19,20).
What are the key properties of N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide?
N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).