N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide

C17H24N2O — CID 113213961

IUPACN-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
SMILESCc1ccc(C2(CNC(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C17H24N2O/c1-14-5-7-15(8-6-14)17(9-10-17)13-18-16(20)19-11-3-2-4-12-19/h5-8H,2-4,9-13H2,1H3,(H,18,20)
InChIKeyLDAHRDWHQRTPLX-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.22
Rot. Bonds3

About N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide

N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide (PubChem CID 113213961) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
PubChem CID113213961
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
SMILESCc1ccc(C2(CNC(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C17H24N2O/c1-14-5-7-15(8-6-14)17(9-10-17)13-18-16(20)19-11-3-2-4-12-19/h5-8H,2-4,9-13H2,1H3,(H,18,20)
InChIKeyLDAHRDWHQRTPLX-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214041
N-[[1-(4-methylphenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113213995
4-benzyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 113214035
4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214019
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide
CID 113214294
4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214295
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide
CID 113214436
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 122571565
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]azepane-1-carboxamide
CID 47873460
(4S)-4-hydroxy-4-(hydroxymethyl)-N-[(1-phenylcyclohexyl)methyl]azepane-1-carboxamide
CID 126446437
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 60612311
N-[(1-phenylcyclopentyl)methyl]-1,4-thiazepane-4-carboxamide
CID 78886565

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide (CID 113213961) is N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide is Cc1ccc(C2(CNC(=O)N3CCCCC3)CC2)cc1.
What is the InChIKey of N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide?
The InChIKey is LDAHRDWHQRTPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14-5-7-15(8-6-14)17(9-10-17)13-18-16(20)19-11-3-2-4-12-19/h5-8H,2-4,9-13H2,1H3,(H,18,20).
What are the key properties of N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide?
N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 113213961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).