3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide

C16H23N3O2 — CID 107067422

IUPAC3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)C2NCCCC2C)cc1
InChIInChI=1S/C16H23N3O2/c1-3-14(20)18-12-6-8-13(9-7-12)19-16(21)15-11(2)5-4-10-17-15/h6-9,11,15,17H,3-5,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVXHAJLIYQYVUFN-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.36
Rot. Bonds4

About 3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide

3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide (PubChem CID 107067422) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide
PubChem CID107067422
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)C2NCCCC2C)cc1
InChIInChI=1S/C16H23N3O2/c1-3-14(20)18-12-6-8-13(9-7-12)19-16(21)15-11(2)5-4-10-17-15/h6-9,11,15,17H,3-5,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVXHAJLIYQYVUFN-UHFFFAOYSA-N
XLogP2.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 102778022
N-(4-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 55060316
N-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide
CID 107067354
N-(3-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339279
N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 114262076
N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107068566
N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide
CID 107067581
3-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
CID 107067553
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107067383
N-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067583
3-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]butanoic acid
CID 102780012

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide (CID 107067422) is 3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide is CCC(=O)Nc1ccc(NC(=O)C2NCCCC2C)cc1.
What is the InChIKey of 3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide?
The InChIKey is VXHAJLIYQYVUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-14(20)18-12-6-8-13(9-7-12)19-16(21)15-11(2)5-4-10-17-15/h6-9,11,15,17H,3-5,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide?
3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 107067422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).