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

C29H34ClN5O — CID 73438337

IUPAC4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide
SMILESCC1CCN(c2ccc(CN3CCC(NC(=O)c4ccc(Cl)c(-c5ccncc5)c4)CC3)cn2)CC1
InChIInChI=1S/C29H34ClN5O/c1-21-8-16-35(17-9-21)28-5-2-22(19-32-28)20-34-14-10-25(11-15-34)33-29(36)24-3-4-27(30)26(18-24)23-6-12-31-13-7-23/h2-7,12-13,18-19,21,25H,8-11,14-17,20H2,1H3,(H,33,36)
InChIKeyNJFCDKGCHYOTRC-UHFFFAOYSA-N
MW504.08 g/mol
LogP5.43
Rot. Bonds6

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

4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide (PubChem CID 73438337) has the molecular formula C29H34ClN5O and a molecular weight of 504.08 g/mol. Its IUPAC name is 4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide
PubChem CID73438337
Molecular FormulaC29H34ClN5O
Molecular Weight504.08 g/mol
Exact Mass503.25
IUPAC Name4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide
SMILESCC1CCN(c2ccc(CN3CCC(NC(=O)c4ccc(Cl)c(-c5ccncc5)c4)CC3)cn2)CC1
InChIInChI=1S/C29H34ClN5O/c1-21-8-16-35(17-9-21)28-5-2-22(19-32-28)20-34-14-10-25(11-15-34)33-29(36)24-3-4-27(30)26(18-24)23-6-12-31-13-7-23/h2-7,12-13,18-19,21,25H,8-11,14-17,20H2,1H3,(H,33,36)
InChIKeyNJFCDKGCHYOTRC-UHFFFAOYSA-N
XLogP5.43
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.08
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

4-fluoro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide
CID 73437970
4-chloro-3-(4-methylphenyl)-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide
CID 118154872
4-methyl-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 73437917
4-methyl-3-pyridin-4-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 118154894
4-chloro-3-pyridazin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 118154926
N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide
CID 90076746
4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 90076936
2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)benzamide
CID 118154773
N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide
CID 118154855
4-chloro-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 73437742
tert-butyl N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(2-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;2-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 162109717
N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide
CID 90076905

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide?
The IUPAC name of 4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide (CID 73438337) is 4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide?
The canonical SMILES for 4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide is CC1CCN(c2ccc(CN3CCC(NC(=O)c4ccc(Cl)c(-c5ccncc5)c4)CC3)cn2)CC1.
What is the InChIKey of 4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide?
The InChIKey is NJFCDKGCHYOTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN5O/c1-21-8-16-35(17-9-21)28-5-2-22(19-32-28)20-34-14-10-25(11-15-34)33-29(36)24-3-4-27(30)26(18-24)23-6-12-31-13-7-23/h2-7,12-13,18-19,21,25H,8-11,14-17,20H2,1H3,(H,33,36).
What are the key properties of 4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide?
4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide has a molecular weight of 504.08 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide is sourced from PubChem (CID 73438337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).