2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide

C31H39N5O — CID 118154870

IUPAC2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide
SMILESCc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCN(C)CC5)nc4)CC3)c2C)cc1
InChIInChI=1S/C31H39N5O/c1-23-7-10-26(11-8-23)28-5-4-6-29(24(28)2)31(37)33-27-13-15-35(16-14-27)22-25-9-12-30(32-21-25)36-19-17-34(3)18-20-36/h4-12,21,27H,13-20,22H2,1-3H3,(H,33,37)
InChIKeyITTHOCQIVIFZRF-UHFFFAOYSA-N
MW497.69 g/mol
LogP4.51
Rot. Bonds6

About 2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide

2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide (PubChem CID 118154870) has the molecular formula C31H39N5O and a molecular weight of 497.69 g/mol. Its IUPAC name is 2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide
PubChem CID118154870
Molecular FormulaC31H39N5O
Molecular Weight497.69 g/mol
Exact Mass497.32
IUPAC Name2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide
SMILESCc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCN(C)CC5)nc4)CC3)c2C)cc1
InChIInChI=1S/C31H39N5O/c1-23-7-10-26(11-8-23)28-5-4-6-29(24(28)2)31(37)33-27-13-15-35(16-14-27)22-25-9-12-30(32-21-25)36-19-17-34(3)18-20-36/h4-12,21,27H,13-20,22H2,1-3H3,(H,33,37)
InChIKeyITTHOCQIVIFZRF-UHFFFAOYSA-N
XLogP4.51
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.69
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide with MolForge

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Related Compounds

2-fluoro-3-(4-methylphenyl)-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide
CID 118154871
2-fluoro-3-(4-methylphenyl)-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide
CID 118154878
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-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylphenyl)benzamide
CID 118154886
2-methyl-3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 73438509
2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)benzamide
CID 118154773
4-chloro-3-(4-methylphenyl)-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide
CID 118154872
2-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 118154832
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
N-[1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzamide
CID 118155414
2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 118154835
2-chloro-N-[1-[5-(morpholin-4-ylmethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 118154847

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide (CID 118154870) is 2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide is Cc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCN(C)CC5)nc4)CC3)c2C)cc1.
What is the InChIKey of 2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide?
The InChIKey is ITTHOCQIVIFZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N5O/c1-23-7-10-26(11-8-23)28-5-4-6-29(24(28)2)31(37)33-27-13-15-35(16-14-27)22-25-9-12-30(32-21-25)36-19-17-34(3)18-20-36/h4-12,21,27H,13-20,22H2,1-3H3,(H,33,37).
What are the key properties of 2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide?
2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide has a molecular weight of 497.69 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 118154870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).