3-chloro-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide

C25H30ClN3O2 — CID 46038102

IUPAC3-chloro-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
SMILESCC1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C25H30ClN3O2/c1-18-9-13-29(14-10-18)25(31)22-7-2-3-8-23(22)28-15-11-21(12-16-28)27-24(30)19-5-4-6-20(26)17-19/h2-8,17-18,21H,9-16H2,1H3,(H,27,30)
InChIKeyKFTHQXLCLBNNFY-UHFFFAOYSA-N
MW439.99 g/mol
LogP4.61
Rot. Bonds4

About 3-chloro-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide

3-chloro-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide (PubChem CID 46038102) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 3-chloro-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
PubChem CID46038102
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC Name3-chloro-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
SMILESCC1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C25H30ClN3O2/c1-18-9-13-29(14-10-18)25(31)22-7-2-3-8-23(22)28-15-11-21(12-16-28)27-24(30)19-5-4-6-20(26)17-19/h2-8,17-18,21H,9-16H2,1H3,(H,27,30)
InChIKeyKFTHQXLCLBNNFY-UHFFFAOYSA-N
XLogP4.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide (CID 46038102) is 3-chloro-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide is CC1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3cccc(Cl)c3)CC2)CC1.
What is the InChIKey of 3-chloro-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
The InChIKey is KFTHQXLCLBNNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c1-18-9-13-29(14-10-18)25(31)22-7-2-3-8-23(22)28-15-11-21(12-16-28)27-24(30)19-5-4-6-20(26)17-19/h2-8,17-18,21H,9-16H2,1H3,(H,27,30).
What are the key properties of 3-chloro-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
3-chloro-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide has a molecular weight of 439.99 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46038102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).