N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide

C18H27N3O2 — CID 54794464

IUPACN-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)C2CCNCC2)c1
InChIInChI=1S/C18H27N3O2/c1-2-3-4-8-17(22)20-15-6-5-7-16(13-15)21-18(23)14-9-11-19-12-10-14/h5-7,13-14,19H,2-4,8-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyNGYCXASMOUVVMO-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.14
Rot. Bonds7

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

N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide (PubChem CID 54794464) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide
PubChem CID54794464
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)C2CCNCC2)c1
InChIInChI=1S/C18H27N3O2/c1-2-3-4-8-17(22)20-15-6-5-7-16(13-15)21-18(23)14-9-11-19-12-10-14/h5-7,13-14,19H,2-4,8-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyNGYCXASMOUVVMO-UHFFFAOYSA-N
XLogP3.14
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711
N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119282191
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 62836488
N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide
CID 54791838
N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide
CID 54794430
N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen
CID 170791141
4-N-(3-acetamidophenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149868
N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride
CID 162755830

Frequently Asked Questions

What is the IUPAC name of N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide (CID 54794464) is N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide is CCCCCC(=O)Nc1cccc(NC(=O)C2CCNCC2)c1.
What is the InChIKey of N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is NGYCXASMOUVVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-3-4-8-17(22)20-15-6-5-7-16(13-15)21-18(23)14-9-11-19-12-10-14/h5-7,13-14,19H,2-4,8-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide?
N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 54794464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).