3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide

C25H26ClN3O2 — CID 42858106

IUPAC3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
SMILESCOc1cccc(N(C(=O)c2cccc(Cl)c2)C2CCN(Cc3ccccn3)CC2)c1
InChIInChI=1S/C25H26ClN3O2/c1-31-24-10-5-9-23(17-24)29(25(30)19-6-4-7-20(26)16-19)22-11-14-28(15-12-22)18-21-8-2-3-13-27-21/h2-10,13,16-17,22H,11-12,14-15,18H2,1H3
InChIKeyKBQDXHHWUWKUPK-UHFFFAOYSA-N
MW435.96 g/mol
LogP5.05
Rot. Bonds6

About 3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide

3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide (PubChem CID 42858106) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
PubChem CID42858106
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
SMILESCOc1cccc(N(C(=O)c2cccc(Cl)c2)C2CCN(Cc3ccccn3)CC2)c1
InChIInChI=1S/C25H26ClN3O2/c1-31-24-10-5-9-23(17-24)29(25(30)19-6-4-7-20(26)16-19)22-11-14-28(15-12-22)18-21-8-2-3-13-27-21/h2-10,13,16-17,22H,11-12,14-15,18H2,1H3
InChIKeyKBQDXHHWUWKUPK-UHFFFAOYSA-N
XLogP5.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46054408
N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 46054990
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 46054747
4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047925
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide
CID 46055099
N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46054558
3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46055084
N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 46047800
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91125540
3-[4-(diethylcarbamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino]benzamide
CID 10184643
3-methyl-N-(4-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide
CID 42858234

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide (CID 42858106) is 3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide is COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CCN(Cc3ccccn3)CC2)c1.
What is the InChIKey of 3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The InChIKey is KBQDXHHWUWKUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-31-24-10-5-9-23(17-24)29(25(30)19-6-4-7-20(26)16-19)22-11-14-28(15-12-22)18-21-8-2-3-13-27-21/h2-10,13,16-17,22H,11-12,14-15,18H2,1H3.
What are the key properties of 3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide has a molecular weight of 435.96 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 42858106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).