1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide

C16H21N3O3 — CID 20973013

IUPAC1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C16H21N3O3/c1-11(20)18-14-5-3-13(4-6-14)16(22)19-9-7-12(8-10-19)15(21)17-2/h3-6,12H,7-10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyKTIYZDSVZIZSEJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.24
Rot. Bonds3

About 1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide

1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide (PubChem CID 20973013) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
PubChem CID20973013
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C16H21N3O3/c1-11(20)18-14-5-3-13(4-6-14)16(22)19-9-7-12(8-10-19)15(21)17-2/h3-6,12H,7-10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyKTIYZDSVZIZSEJ-UHFFFAOYSA-N
XLogP1.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973011
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
N-(4-acetylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007858
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570
N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806427
1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide
CID 110350748
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 20973047
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide (CID 20973013) is 1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of 1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is KTIYZDSVZIZSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(20)18-14-5-3-13(4-6-14)16(22)19-9-7-12(8-10-19)15(21)17-2/h3-6,12H,7-10H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide?
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 20973013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).