2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide

C25H31ClN4O2 — CID 42847963

IUPAC2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)NCCN2CCCC2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C25H31ClN4O2/c26-20-7-5-6-19(18-20)24(31)28-21-10-15-30(16-11-21)23-9-2-1-8-22(23)25(32)27-12-17-29-13-3-4-14-29/h1-2,5-9,18,21H,3-4,10-17H2,(H,27,32)(H,28,31)
InChIKeyCHGURDAPGVXNGD-UHFFFAOYSA-N
MW455.00 g/mol
LogP3.56
Rot. Bonds7

About 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide

2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 42847963) has the molecular formula C25H31ClN4O2 and a molecular weight of 455.00 g/mol. Its IUPAC name is 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID42847963
Molecular FormulaC25H31ClN4O2
Molecular Weight455.00 g/mol
Exact Mass454.21
IUPAC Name2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)NCCN2CCCC2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C25H31ClN4O2/c26-20-7-5-6-19(18-20)24(31)28-21-10-15-30(16-11-21)23-9-2-1-8-22(23)25(32)27-12-17-29-13-3-4-14-29/h1-2,5-9,18,21H,3-4,10-17H2,(H,27,32)(H,28,31)
InChIKeyCHGURDAPGVXNGD-UHFFFAOYSA-N
XLogP3.56
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.00
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide 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

2-[4-(cyclobutanecarbonylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 42847952
2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 46037780
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 46037280
2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324060
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520
N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide
CID 42848136
2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037766
2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide
CID 42848150
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide
CID 93324251

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 42847963) is 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide is O=C(NC1CCN(c2ccccc2C(=O)NCCN2CCCC2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is CHGURDAPGVXNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O2/c26-20-7-5-6-19(18-20)24(31)28-21-10-15-30(16-11-21)23-9-2-1-8-22(23)25(32)27-12-17-29-13-3-4-14-29/h1-2,5-9,18,21H,3-4,10-17H2,(H,27,32)(H,28,31).
What are the key properties of 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 455.00 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 42847963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).