N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide

C16H23N3O2 — CID 63121630

IUPACN-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2(C)CCNCC2)ccc1C
InChIInChI=1S/C16H23N3O2/c1-11-4-5-13(10-14(11)18-12(2)20)19-15(21)16(3)6-8-17-9-7-16/h4-5,10,17H,6-9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyFUJPBNNQHDKOBF-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.28
Rot. Bonds3

About N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide

N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide (PubChem CID 63121630) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide
PubChem CID63121630
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2(C)CCNCC2)ccc1C
InChIInChI=1S/C16H23N3O2/c1-11-4-5-13(10-14(11)18-12(2)20)19-15(21)16(3)6-8-17-9-7-16/h4-5,10,17H,6-9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyFUJPBNNQHDKOBF-UHFFFAOYSA-N
XLogP2.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 63121506
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585
N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119700277
4-methyl-N-(4-methyl-3-pyridinyl)piperidine-4-carboxamide
CID 63327188
N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119704619
N-(2,4-dimethylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121544
N-(5-acetamido-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119705037
N-(4-fluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707219
N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553
N-(4-carbamoylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121565
N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121495

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide (CID 63121630) is N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide is CC(=O)Nc1cc(NC(=O)C2(C)CCNCC2)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide?
The InChIKey is FUJPBNNQHDKOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-4-5-13(10-14(11)18-12(2)20)19-15(21)16(3)6-8-17-9-7-16/h4-5,10,17H,6-9H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide?
N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 63121630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).