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

C16H23N3O2 — CID 63122404

IUPAC4-methyl-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)C2(C)CCNCC2)c1
InChIInChI=1S/C16H23N3O2/c1-3-14(20)18-12-5-4-6-13(11-12)19-15(21)16(2)7-9-17-10-8-16/h4-6,11,17H,3,7-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyHVFDTGXQOOATRB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.36
Rot. Bonds4

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

4-methyl-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide (PubChem CID 63122404) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-methyl-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
PubChem CID63122404
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-methyl-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)C2(C)CCNCC2)c1
InChIInChI=1S/C16H23N3O2/c1-3-14(20)18-12-5-4-6-13(11-12)19-15(21)16(2)7-9-17-10-8-16/h4-6,11,17H,3,7-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyHVFDTGXQOOATRB-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

4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 63122188
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-[3-(4-fluorophenoxy)phenyl]-4-methylpiperidine-4-carboxamide
CID 67036908
4-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 63121646
4-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 63121506
N-(4-carbamoylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121565
4-(methoxymethyl)-N-[3-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619753
N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622758
N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121630
1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide
CID 28624202
2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid
CID 65350521
4-methyl-N-thiophen-3-ylpiperidine-4-carboxamide
CID 66352171

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-methyl-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide (CID 63122404) is 4-methyl-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide is CCC(=O)Nc1cccc(NC(=O)C2(C)CCNCC2)c1.
What is the InChIKey of 4-methyl-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is HVFDTGXQOOATRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-14(20)18-12-5-4-6-13(11-12)19-15(21)16(2)7-9-17-10-8-16/h4-6,11,17H,3,7-10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-methyl-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide?
4-methyl-N-[3-(propanoylamino)phenyl]piperidine-4-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 4-methyl-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 63122404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).