N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide

C18H28N2O — CID 106739419

IUPACN,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide
SMILESCC1CC(C(=O)N(C)CCCCc2ccccc2)CCN1
InChIInChI=1S/C18H28N2O/c1-15-14-17(11-12-19-15)18(21)20(2)13-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,15,17,19H,6-7,10-14H2,1-2H3
InChIKeyFYJQCQHKQJHQQM-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.86
Rot. Bonds6

About N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide

N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide (PubChem CID 106739419) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide
PubChem CID106739419
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide
SMILESCC1CC(C(=O)N(C)CCCCc2ccccc2)CCN1
InChIInChI=1S/C18H28N2O/c1-15-14-17(11-12-19-15)18(21)20(2)13-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,15,17,19H,6-7,10-14H2,1-2H3
InChIKeyFYJQCQHKQJHQQM-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 106739374
N-methyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 43588756
3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide
CID 66009595
N,4-dimethyl-N-(3-phenylpropyl)piperidine-2-carboxamide
CID 114422878
(2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617248
3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride
CID 119733701
(2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 120626020
(2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
CID 120619878
(2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 120636609
(2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120617586
(2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 120618998
N-methyl-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 74878818

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide?
The IUPAC name of N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide (CID 106739419) is N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide?
The canonical SMILES for N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide is CC1CC(C(=O)N(C)CCCCc2ccccc2)CCN1.
What is the InChIKey of N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide?
The InChIKey is FYJQCQHKQJHQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-14-17(11-12-19-15)18(21)20(2)13-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,15,17,19H,6-7,10-14H2,1-2H3.
What are the key properties of N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide?
N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide has a molecular weight of 288.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 106739419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).