N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide

C17H23N3O3 — CID 20973011

IUPACN-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide
SMILESCCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)NC)CC2)cc1
InChIInChI=1S/C17H23N3O3/c1-3-15(21)19-14-6-4-13(5-7-14)17(23)20-10-8-12(9-11-20)16(22)18-2/h4-7,12H,3,8-11H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyAPEXJZCUVJZUAR-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.63
Rot. Bonds4

About N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide

N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide (PubChem CID 20973011) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide
PubChem CID20973011
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide
SMILESCCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)NC)CC2)cc1
InChIInChI=1S/C17H23N3O3/c1-3-15(21)19-14-6-4-13(5-7-14)17(23)20-10-8-12(9-11-20)16(22)18-2/h4-7,12H,3,8-11H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyAPEXJZCUVJZUAR-UHFFFAOYSA-N
XLogP1.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 46468435
N-[4-(piperazine-1-carbonyl)phenyl]propanamide
CID 53215907
N-(4-ethylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006644
1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid
CID 119250666
1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 20972958
1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 46576371
1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006650
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 42543525
(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729051
N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55836292

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide (CID 20973011) is N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide is CCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)NC)CC2)cc1.
What is the InChIKey of N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide?
The InChIKey is APEXJZCUVJZUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-15(21)19-14-6-4-13(5-7-14)17(23)20-10-8-12(9-11-20)16(22)18-2/h4-7,12H,3,8-11H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide?
N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 20973011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).