N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide

C21H31N3O4 — CID 119480695

IUPACN-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide
SMILESCOc1cc(C(=O)N2CCCC(C(=O)NCCN)C2)ccc1OC1CCCC1
InChIInChI=1S/C21H31N3O4/c1-27-19-13-15(8-9-18(19)28-17-6-2-3-7-17)21(26)24-12-4-5-16(14-24)20(25)23-11-10-22/h8-9,13,16-17H,2-7,10-12,14,22H2,1H3,(H,23,25)
InChIKeyGPQHBTCMULTBGL-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.94
Rot. Bonds7

About N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide (PubChem CID 119480695) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide
PubChem CID119480695
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC NameN-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide
SMILESCOc1cc(C(=O)N2CCCC(C(=O)NCCN)C2)ccc1OC1CCCC1
InChIInChI=1S/C21H31N3O4/c1-27-19-13-15(8-9-18(19)28-17-6-2-3-7-17)21(26)24-12-4-5-16(14-24)20(25)23-11-10-22/h8-9,13,16-17H,2-7,10-12,14,22H2,1H3,(H,23,25)
InChIKeyGPQHBTCMULTBGL-UHFFFAOYSA-N
XLogP1.94
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)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-(2-aminoethyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481384
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide
CID 49403077
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481326
N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
CID 119481465
N-(2-aminoethyl)-1-(4-bromo-2-methoxybenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480740
N-(2-aminoethyl)-1-(4-bromo-3-fluorobenzoyl)piperidine-3-carboxamide
CID 119385141
N-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide
CID 119480066
N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide
CID 49402246

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide (CID 119480695) is N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide is COc1cc(C(=O)N2CCCC(C(=O)NCCN)C2)ccc1OC1CCCC1.
What is the InChIKey of N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide?
The InChIKey is GPQHBTCMULTBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-27-19-13-15(8-9-18(19)28-17-6-2-3-7-17)21(26)24-12-4-5-16(14-24)20(25)23-11-10-22/h8-9,13,16-17H,2-7,10-12,14,22H2,1H3,(H,23,25).
What are the key properties of N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 119480695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).