2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide

C25H30ClN3O2 — CID 93291101

IUPAC2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide
SMILESC[C@H]1CCCCN1C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C25H30ClN3O2/c1-18-8-6-7-15-29(18)25(31)21-10-3-5-12-23(21)28-16-13-19(14-17-28)27-24(30)20-9-2-4-11-22(20)26/h2-5,9-12,18-19H,6-8,13-17H2,1H3,(H,27,30)/t18-/m0/s1
InChIKeyHZMVWFKUJXEIPF-SFHVURJKSA-N
MW439.99 g/mol
LogP4.75
Rot. Bonds4

About 2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide

2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide (PubChem CID 93291101) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide
PubChem CID93291101
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC Name2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide
SMILESC[C@H]1CCCCN1C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C25H30ClN3O2/c1-18-8-6-7-15-29(18)25(31)21-10-3-5-12-23(21)28-16-13-19(14-17-28)27-24(30)20-9-2-4-11-22(20)26/h2-5,9-12,18-19H,6-8,13-17H2,1H3,(H,27,30)/t18-/m0/s1
InChIKeyHZMVWFKUJXEIPF-SFHVURJKSA-N
XLogP4.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]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

N-[1-[2-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 93291094
3,3-dimethyl-N-[1-[2-(2-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]butanamide
CID 46038069
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
CID 46038313
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 93324123
N-[1-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 42848348
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide
CID 46038281
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
2-chloro-N-cyclopentylbenzamide
CID 669043
2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038331
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide (CID 93291101) is 2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide is C[C@H]1CCCCN1C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide?
The InChIKey is HZMVWFKUJXEIPF-SFHVURJKSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c1-18-8-6-7-15-29(18)25(31)21-10-3-5-12-23(21)28-16-13-19(14-17-28)27-24(30)20-9-2-4-11-22(20)26/h2-5,9-12,18-19H,6-8,13-17H2,1H3,(H,27,30)/t18-/m0/s1.
What are the key properties of 2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide?
2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide has a molecular weight of 439.99 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 93291101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).