4-[(4-tert-butylphenyl)methyl]-N-methylpiperidine-2-carboxamide

C18H28N2O — CID 106778581

IUPAC4-[(4-tert-butylphenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CC(Cc2ccc(C(C)(C)C)cc2)CCN1
InChIInChI=1S/C18H28N2O/c1-18(2,3)15-7-5-13(6-8-15)11-14-9-10-20-16(12-14)17(21)19-4/h5-8,14,16,20H,9-12H2,1-4H3,(H,19,21)
InChIKeyJVRVYWJYKJUDCS-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.64
Rot. Bonds3

About 4-[(4-tert-butylphenyl)methyl]-N-methylpiperidine-2-carboxamide

4-[(4-tert-butylphenyl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 106778581) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID106778581
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-[(4-tert-butylphenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CC(Cc2ccc(C(C)(C)C)cc2)CCN1
InChIInChI=1S/C18H28N2O/c1-18(2,3)15-7-5-13(6-8-15)11-14-9-10-20-16(12-14)17(21)19-4/h5-8,14,16,20H,9-12H2,1-4H3,(H,19,21)
InChIKeyJVRVYWJYKJUDCS-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxamide
CID 106779584
4-[(3,5-dimethylphenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 106777885
4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 106781146
N-methyl-4-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxamide
CID 106780087
4-[(4-propan-2-ylphenyl)methyl]piperidine-2-carboxamide
CID 106778616
4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 106781871
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide
CID 114428574
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926303
3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine
CID 64506233
4-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperidine-2-carboxamide
CID 106781123

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 4-[(4-tert-butylphenyl)methyl]-N-methylpiperidine-2-carboxamide (CID 106778581) is 4-[(4-tert-butylphenyl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 4-[(4-tert-butylphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 4-[(4-tert-butylphenyl)methyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CC(Cc2ccc(C(C)(C)C)cc2)CCN1.
What is the InChIKey of 4-[(4-tert-butylphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is JVRVYWJYKJUDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,3)15-7-5-13(6-8-15)11-14-9-10-20-16(12-14)17(21)19-4/h5-8,14,16,20H,9-12H2,1-4H3,(H,19,21).
What are the key properties of 4-[(4-tert-butylphenyl)methyl]-N-methylpiperidine-2-carboxamide?
4-[(4-tert-butylphenyl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 106778581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).