2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylphenyl)benzamide

C31H38ClN5O — CID 118154886

IUPAC2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CC(C)NC(C)C5)nc4)CC3)c2Cl)cc1
InChIInChI=1S/C31H38ClN5O/c1-21-7-10-25(11-8-21)27-5-4-6-28(30(27)32)31(38)35-26-13-15-36(16-14-26)20-24-9-12-29(33-17-24)37-18-22(2)34-23(3)19-37/h4-12,17,22-23,26,34H,13-16,18-20H2,1-3H3,(H,35,38)
InChIKeyRQOCXEADCNZTCD-UHFFFAOYSA-N
MW532.13 g/mol
LogP5.29
Rot. Bonds6

About 2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylphenyl)benzamide

2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylphenyl)benzamide (PubChem CID 118154886) has the molecular formula C31H38ClN5O and a molecular weight of 532.13 g/mol. Its IUPAC name is 2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylphenyl)benzamide
PubChem CID118154886
Molecular FormulaC31H38ClN5O
Molecular Weight532.13 g/mol
Exact Mass531.28
IUPAC Name2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CC(C)NC(C)C5)nc4)CC3)c2Cl)cc1
InChIInChI=1S/C31H38ClN5O/c1-21-7-10-25(11-8-21)27-5-4-6-28(30(27)32)31(38)35-26-13-15-36(16-14-26)20-24-9-12-29(33-17-24)37-18-22(2)34-23(3)19-37/h4-12,17,22-23,26,34H,13-16,18-20H2,1-3H3,(H,35,38)
InChIKeyRQOCXEADCNZTCD-UHFFFAOYSA-N
XLogP5.29
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.13
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylphenyl)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-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 118154835
2-chloro-3-(4-methylphenyl)-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide
CID 118154876
2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)benzamide
CID 118154773
2-fluoro-3-(4-methylphenyl)-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide
CID 118154878
2-fluoro-3-(4-methylphenyl)-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide
CID 118154871
2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 118154870
2-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 118154832
2-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-chloro-N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide
CID 158414593
N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide
CID 118154803
2-chloro-N-[1-[5-(morpholin-4-ylmethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 118154847
N-[1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzamide
CID 118155414
4-chloro-3-(4-methylphenyl)-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide
CID 118154872

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylphenyl)benzamide?
The IUPAC name of 2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylphenyl)benzamide (CID 118154886) is 2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylphenyl)benzamide.
What is the SMILES notation for 2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylphenyl)benzamide?
The canonical SMILES for 2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylphenyl)benzamide is Cc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CC(C)NC(C)C5)nc4)CC3)c2Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylphenyl)benzamide?
The InChIKey is RQOCXEADCNZTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38ClN5O/c1-21-7-10-25(11-8-21)27-5-4-6-28(30(27)32)31(38)35-26-13-15-36(16-14-26)20-24-9-12-29(33-17-24)37-18-22(2)34-23(3)19-37/h4-12,17,22-23,26,34H,13-16,18-20H2,1-3H3,(H,35,38).
What are the key properties of 2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylphenyl)benzamide?
2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylphenyl)benzamide has a molecular weight of 532.13 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylphenyl)benzamide is sourced from PubChem (CID 118154886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).