3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide

C18H28N2O — CID 107067392

IUPAC3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide
SMILESCC(C)CC(NC(=O)C1NCCCC1C)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-13(2)12-16(15-9-5-4-6-10-15)20-18(21)17-14(3)8-7-11-19-17/h4-6,9-10,13-14,16-17,19H,7-8,11-12H2,1-3H3,(H,20,21)
InChIKeyQZFDOMBOFWINRG-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.28
Rot. Bonds5

About 3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide

3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide (PubChem CID 107067392) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide
PubChem CID107067392
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide
SMILESCC(C)CC(NC(=O)C1NCCCC1C)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-13(2)12-16(15-9-5-4-6-10-15)20-18(21)17-14(3)8-7-11-19-17/h4-6,9-10,13-14,16-17,19H,7-8,11-12H2,1-3H3,(H,20,21)
InChIKeyQZFDOMBOFWINRG-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid
CID 107067870
N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779419
3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide
CID 102778018
(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120618230
3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide
CID 107067400
methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
CID 107068110
N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067843
3-methyl-N-(2-phenylsulfanylethyl)piperidine-2-carboxamide
CID 107067830
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107068435
N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide
CID 43707143
3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide
CID 107068069
N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 107863240

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide (CID 107067392) is 3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide is CC(C)CC(NC(=O)C1NCCCC1C)c1ccccc1.
What is the InChIKey of 3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide?
The InChIKey is QZFDOMBOFWINRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)12-16(15-9-5-4-6-10-15)20-18(21)17-14(3)8-7-11-19-17/h4-6,9-10,13-14,16-17,19H,7-8,11-12H2,1-3H3,(H,20,21).
What are the key properties of 3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide?
3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide is sourced from PubChem (CID 107067392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).