N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide

C17H27N3O — CID 61259552

IUPACN-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide
SMILESCCN(CCCNC(=O)C1CCCCN1)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-2-20(15-9-4-3-5-10-15)14-8-13-19-17(21)16-11-6-7-12-18-16/h3-5,9-10,16,18H,2,6-8,11-14H2,1H3,(H,19,21)
InChIKeyWPVOVCFPGKNJAY-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.16
Rot. Bonds7

About N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide

N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide (PubChem CID 61259552) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide
PubChem CID61259552
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide
SMILESCCN(CCCNC(=O)C1CCCCN1)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-2-20(15-9-4-3-5-10-15)14-8-13-19-17(21)16-11-6-7-12-18-16/h3-5,9-10,16,18H,2,6-8,11-14H2,1H3,(H,19,21)
InChIKeyWPVOVCFPGKNJAY-UHFFFAOYSA-N
XLogP2.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(N-ethylanilino)propyl]piperidine-2-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-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide
CID 60717546
(2R)-N-[2-(N-methylanilino)ethyl]piperidine-2-carboxamide
CID 103813393
(2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119831742
N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide
CID 63005189
N-[3-(diethylamino)propyl]azepane-2-carboxamide
CID 64563964
N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119853410
(2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 61260470
N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712509
(2R)-N-(3-anilinopropyl)piperidine-2-carboxamide
CID 119867761
N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32795265
(2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide
CID 61178516
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide (CID 61259552) is N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide is CCN(CCCNC(=O)C1CCCCN1)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide?
The InChIKey is WPVOVCFPGKNJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-20(15-9-4-3-5-10-15)14-8-13-19-17(21)16-11-6-7-12-18-16/h3-5,9-10,16,18H,2,6-8,11-14H2,1H3,(H,19,21).
What are the key properties of N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide?
N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide is sourced from PubChem (CID 61259552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).