N-butyl-1-(cyclohex-3-en-1-ylmethyl)-N-methylpiperidine-4-carboxamide

C18H32N2O — CID 3881897

IUPACN-butyl-1-(cyclohex-3-en-1-ylmethyl)-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C18H32N2O/c1-3-4-12-19(2)18(21)17-10-13-20(14-11-17)15-16-8-6-5-7-9-16/h5-6,16-17H,3-4,7-15H2,1-2H3
InChIKeyWRZMMCJNMCSLIW-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.31
Rot. Bonds6

About N-butyl-1-(cyclohex-3-en-1-ylmethyl)-N-methylpiperidine-4-carboxamide

N-butyl-1-(cyclohex-3-en-1-ylmethyl)-N-methylpiperidine-4-carboxamide (PubChem CID 3881897) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-butyl-1-(cyclohex-3-en-1-ylmethyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(cyclohex-3-en-1-ylmethyl)-N-methylpiperidine-4-carboxamide
PubChem CID3881897
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-butyl-1-(cyclohex-3-en-1-ylmethyl)-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C18H32N2O/c1-3-4-12-19(2)18(21)17-10-13-20(14-11-17)15-16-8-6-5-7-9-16/h5-6,16-17H,3-4,7-15H2,1-2H3
InChIKeyWRZMMCJNMCSLIW-UHFFFAOYSA-N
XLogP3.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-4-carboxamide
CID 111105976
[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 3153510
N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
CID 7317771
N-butyl-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3151173
N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999
N-butyl-N-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxamide;hydrochloride
CID 119738389
N-(2-hydroxyethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 60740028
N-butyl-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 78900799
1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 3145138
N-butyl-N-methyl-1-[(5-nitropyrazol-1-yl)methyl]piperidine-4-carboxamide
CID 78905461
N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55836292
N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 78798151

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(cyclohex-3-en-1-ylmethyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(cyclohex-3-en-1-ylmethyl)-N-methylpiperidine-4-carboxamide (CID 3881897) is N-butyl-1-(cyclohex-3-en-1-ylmethyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(cyclohex-3-en-1-ylmethyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(cyclohex-3-en-1-ylmethyl)-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(CC2CC=CCC2)CC1.
What is the InChIKey of N-butyl-1-(cyclohex-3-en-1-ylmethyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is WRZMMCJNMCSLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-3-4-12-19(2)18(21)17-10-13-20(14-11-17)15-16-8-6-5-7-9-16/h5-6,16-17H,3-4,7-15H2,1-2H3.
What are the key properties of N-butyl-1-(cyclohex-3-en-1-ylmethyl)-N-methylpiperidine-4-carboxamide?
N-butyl-1-(cyclohex-3-en-1-ylmethyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 292.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(cyclohex-3-en-1-ylmethyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 3881897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).