N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide

C17H23ClN2O — CID 119315649

IUPACN-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCC1)C1CCCCN1
InChIInChI=1S/C17H23ClN2O/c18-14-7-5-13(6-8-14)17(9-3-10-17)12-20-16(21)15-4-1-2-11-19-15/h5-8,15,19H,1-4,9-12H2,(H,20,21)
InChIKeySPGHFAWAPCPHHT-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.02
Rot. Bonds4

About N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide (PubChem CID 119315649) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
PubChem CID119315649
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCC1)C1CCCCN1
InChIInChI=1S/C17H23ClN2O/c18-14-7-5-13(6-8-14)17(9-3-10-17)12-20-16(21)15-4-1-2-11-19-15/h5-8,15,19H,1-4,9-12H2,(H,20,21)
InChIKeySPGHFAWAPCPHHT-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119310485
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 119303685
N-[(1-phenylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 110481276
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide
CID 119314892
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119303951
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314901
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119293530
N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119301103
(2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120930587
N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide
CID 119297349
(2S,4S)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120630711

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide (CID 119315649) is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide is O=C(NCC1(c2ccc(Cl)cc2)CCC1)C1CCCCN1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide?
The InChIKey is SPGHFAWAPCPHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c18-14-7-5-13(6-8-14)17(9-3-10-17)12-20-16(21)15-4-1-2-11-19-15/h5-8,15,19H,1-4,9-12H2,(H,20,21).
What are the key properties of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide?
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide has a molecular weight of 306.84 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 119315649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).