N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide

C19H28N4O3 — CID 119481429

IUPACN-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)N2CCCC(C(=O)NCCN)C2)cc1
InChIInChI=1S/C19H28N4O3/c1-13(2)17(24)22-16-7-5-14(6-8-16)19(26)23-11-3-4-15(12-23)18(25)21-10-9-20/h5-8,13,15H,3-4,9-12,20H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyBJOQYBWKAGFYJF-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.21
Rot. Bonds6

About N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide (PubChem CID 119481429) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
PubChem CID119481429
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)N2CCCC(C(=O)NCCN)C2)cc1
InChIInChI=1S/C19H28N4O3/c1-13(2)17(24)22-16-7-5-14(6-8-16)19(26)23-11-3-4-15(12-23)18(25)21-10-9-20/h5-8,13,15H,3-4,9-12,20H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyBJOQYBWKAGFYJF-UHFFFAOYSA-N
XLogP1.21
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-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-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 46384493
N-(2-aminoethyl)-1-[2-chloro-5-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119482456
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-aminoethyl)-1-[4-(diethylcarbamoyl)benzoyl]piperidine-3-carboxamide
CID 119481575
N-(2-aminoethyl)-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119480778
(3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92728882
N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481326
1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 46384498
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729051
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide (CID 119481429) is N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide is CC(C)C(=O)Nc1ccc(C(=O)N2CCCC(C(=O)NCCN)C2)cc1.
What is the InChIKey of N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide?
The InChIKey is BJOQYBWKAGFYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13(2)17(24)22-16-7-5-14(6-8-16)19(26)23-11-3-4-15(12-23)18(25)21-10-9-20/h5-8,13,15H,3-4,9-12,20H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 119481429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).