N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide

C17H26N2O — CID 119343628

IUPACN-(4-butylphenyl)-N-methylpiperidine-3-carboxamide
SMILESCCCCc1ccc(N(C)C(=O)C2CCCNC2)cc1
InChIInChI=1S/C17H26N2O/c1-3-4-6-14-8-10-16(11-9-14)19(2)17(20)15-7-5-12-18-13-15/h8-11,15,18H,3-7,12-13H2,1-2H3
InChIKeyQDFJBMSJERYPTM-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.99
Rot. Bonds5

About N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide

N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 119343628) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-N-methylpiperidine-3-carboxamide
PubChem CID119343628
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(4-butylphenyl)-N-methylpiperidine-3-carboxamide
SMILESCCCCc1ccc(N(C)C(=O)C2CCCNC2)cc1
InChIInChI=1S/C17H26N2O/c1-3-4-6-14-8-10-16(11-9-14)19(2)17(20)15-7-5-12-18-13-15/h8-11,15,18H,3-7,12-13H2,1-2H3
InChIKeyQDFJBMSJERYPTM-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 115159880
N-(4-ethylphenyl)-N-methylpiperidine-3-carboxamide
CID 62002081
N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide
CID 115159889
N-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide
CID 115159892
N-methyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 115159907
N,N-dibutylpiperidine-3-carboxamide;hydrochloride
CID 119262431
N-(3,5-dimethylphenyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119300463
(3S)-N-methyl-N-pentylpiperidine-3-carboxamide
CID 81123765
N-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide
CID 86814370
N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]-N-methylpiperidine-4-carboxamide
CID 90046480
N-(2-methoxyethyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 119307596
N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide (CID 119343628) is N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide is CCCCc1ccc(N(C)C(=O)C2CCCNC2)cc1.
What is the InChIKey of N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is QDFJBMSJERYPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-4-6-14-8-10-16(11-9-14)19(2)17(20)15-7-5-12-18-13-15/h8-11,15,18H,3-7,12-13H2,1-2H3.
What are the key properties of N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide?
N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 119343628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).