2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide

C28H30ClN5O2 — CID 46038331

IUPAC2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)N2CCN(c3ccccn3)CC2)CC1)c1ccccc1Cl
InChIInChI=1S/C28H30ClN5O2/c29-24-9-3-1-7-22(24)27(35)31-21-12-15-32(16-13-21)25-10-4-2-8-23(25)28(36)34-19-17-33(18-20-34)26-11-5-6-14-30-26/h1-11,14,21H,12-13,15-20H2,(H,31,35)
InChIKeyABWQMDJMAMBVAN-UHFFFAOYSA-N
MW504.03 g/mol
LogP4.10
Rot. Bonds5

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

2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide (PubChem CID 46038331) has the molecular formula C28H30ClN5O2 and a molecular weight of 504.03 g/mol. Its IUPAC name is 2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
PubChem CID46038331
Molecular FormulaC28H30ClN5O2
Molecular Weight504.03 g/mol
Exact Mass503.21
IUPAC Name2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)N2CCN(c3ccccn3)CC2)CC1)c1ccccc1Cl
InChIInChI=1S/C28H30ClN5O2/c29-24-9-3-1-7-22(24)27(35)31-21-12-15-32(16-13-21)25-10-4-2-8-23(25)28(36)34-19-17-33(18-20-34)26-11-5-6-14-30-26/h1-11,14,21H,12-13,15-20H2,(H,31,35)
InChIKeyABWQMDJMAMBVAN-UHFFFAOYSA-N
XLogP4.10
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.03
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-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

2,2-dimethyl-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]propanamide
CID 46038347
N-[1-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 42848348
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974806
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide
CID 93291101
N-cyclopropyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109093874
N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109050733
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide
CID 46038281
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 93324123
2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821271
N-[1-[2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide
CID 24719026
2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99696788

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide (CID 46038331) is 2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide is O=C(NC1CCN(c2ccccc2C(=O)N2CCN(c3ccccn3)CC2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
The InChIKey is ABWQMDJMAMBVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN5O2/c29-24-9-3-1-7-22(24)27(35)31-21-12-15-32(16-13-21)25-10-4-2-8-23(25)28(36)34-19-17-33(18-20-34)26-11-5-6-14-30-26/h1-11,14,21H,12-13,15-20H2,(H,31,35).
What are the key properties of 2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide has a molecular weight of 504.03 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46038331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).