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

C18H28N2O — CID 63131193

IUPAC3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
SMILESCC(C)CC(NC(=O)C1(C)CCCNC1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-14(2)12-16(15-8-5-4-6-9-15)20-17(21)18(3)10-7-11-19-13-18/h4-6,8-9,14,16,19H,7,10-13H2,1-3H3,(H,20,21)
InChIKeyRRWPNRBUUFTHIE-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.28
Rot. Bonds5

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

3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide (PubChem CID 63131193) 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-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
PubChem CID63131193
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
SMILESCC(C)CC(NC(=O)C1(C)CCCNC1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-14(2)12-16(15-8-5-4-6-9-15)20-17(21)18(3)10-7-11-19-13-18/h4-6,8-9,14,16,19H,7,10-13H2,1-3H3,(H,20,21)
InChIKeyRRWPNRBUUFTHIE-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

3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide
CID 63139520
3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958
N-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943839
N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide
CID 119944327
N-[(1R)-2-hydroxy-1-phenylethyl]-3-propylpiperidine-3-carboxamide
CID 107863291
3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid
CID 63142311
3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide
CID 63133086
3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119943872
N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107863282
3-ethyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 63132202
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 119945380

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide (CID 63131193) is 3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide is CC(C)CC(NC(=O)C1(C)CCCNC1)c1ccccc1.
What is the InChIKey of 3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide?
The InChIKey is RRWPNRBUUFTHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)12-16(15-8-5-4-6-9-15)20-17(21)18(3)10-7-11-19-13-18/h4-6,8-9,14,16,19H,7,10-13H2,1-3H3,(H,20,21).
What are the key properties of 3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide?
3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-3-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-3-carboxamide is sourced from PubChem (CID 63131193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).