2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide

C20H23ClN2O2 — CID 25449017

IUPAC2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
SMILESCOc1cccc(CN2CCC[C@H](NC(=O)c3ccccc3Cl)C2)c1
InChIInChI=1S/C20H23ClN2O2/c1-25-17-8-4-6-15(12-17)13-23-11-5-7-16(14-23)22-20(24)18-9-2-3-10-19(18)21/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyUCPLZDISEZELNR-INIZCTEOSA-N
MW358.87 g/mol
LogP3.74
Rot. Bonds5

About 2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide

2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide (PubChem CID 25449017) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
PubChem CID25449017
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
SMILESCOc1cccc(CN2CCC[C@H](NC(=O)c3ccccc3Cl)C2)c1
InChIInChI=1S/C20H23ClN2O2/c1-25-17-8-4-6-15(12-17)13-23-11-5-7-16(14-23)22-20(24)18-9-2-3-10-19(18)21/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyUCPLZDISEZELNR-INIZCTEOSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 25374475
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 45187769
2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide
CID 134802067
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide
CID 25325208
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea
CID 134802563
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 45210664
2-chloro-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55945452
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56902955
N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide
CID 55644626
2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide
CID 113239287

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide (CID 25449017) is 2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide is COc1cccc(CN2CCC[C@H](NC(=O)c3ccccc3Cl)C2)c1.
What is the InChIKey of 2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide?
The InChIKey is UCPLZDISEZELNR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-25-17-8-4-6-15(12-17)13-23-11-5-7-16(14-23)22-20(24)18-9-2-3-10-19(18)21/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide?
2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide has a molecular weight of 358.87 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide is sourced from PubChem (CID 25449017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).