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

C30H36ClN5O — CID 118154773

IUPAC2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)benzamide
SMILESCc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCC(C)CC5)nc4)CC3)c2Cl)cn1
InChIInChI=1S/C30H36ClN5O/c1-21-10-16-36(17-11-21)28-9-7-23(18-33-28)20-35-14-12-25(13-15-35)34-30(37)27-5-3-4-26(29(27)31)24-8-6-22(2)32-19-24/h3-9,18-19,21,25H,10-17,20H2,1-2H3,(H,34,37)
InChIKeyREZCFFRVUMJGMA-UHFFFAOYSA-N
MW518.11 g/mol
LogP5.74
Rot. Bonds6

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

2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)benzamide (PubChem CID 118154773) has the molecular formula C30H36ClN5O and a molecular weight of 518.11 g/mol. Its IUPAC name is 2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)benzamide
PubChem CID118154773
Molecular FormulaC30H36ClN5O
Molecular Weight518.11 g/mol
Exact Mass517.26
IUPAC Name2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)benzamide
SMILESCc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCC(C)CC5)nc4)CC3)c2Cl)cn1
InChIInChI=1S/C30H36ClN5O/c1-21-10-16-36(17-11-21)28-9-7-23(18-33-28)20-35-14-12-25(13-15-35)34-30(37)27-5-3-4-26(29(27)31)24-8-6-22(2)32-19-24/h3-9,18-19,21,25H,10-17,20H2,1-2H3,(H,34,37)
InChIKeyREZCFFRVUMJGMA-UHFFFAOYSA-N
XLogP5.74
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.11
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

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
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-[[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
2-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 118154832
2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 118154870
2-fluoro-3-(4-methylphenyl)-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide
CID 118154871
4-methyl-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 73437917
2-fluoro-3-(4-methylphenyl)-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide
CID 118154878
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
4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide
CID 73438337

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)benzamide?
The IUPAC name of 2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)benzamide (CID 118154773) is 2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)benzamide is Cc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCC(C)CC5)nc4)CC3)c2Cl)cn1.
What is the InChIKey of 2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)benzamide?
The InChIKey is REZCFFRVUMJGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36ClN5O/c1-21-10-16-36(17-11-21)28-9-7-23(18-33-28)20-35-14-12-25(13-15-35)34-30(37)27-5-3-4-26(29(27)31)24-8-6-22(2)32-19-24/h3-9,18-19,21,25H,10-17,20H2,1-2H3,(H,34,37).
What are the key properties of 2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)benzamide?
2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)benzamide has a molecular weight of 518.11 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 118154773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).