N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide

C21H25ClN2O2 — CID 8590309

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN2O2/c1-15-3-8-20(26-2)19(13-15)21(25)23-18-9-11-24(12-10-18)14-16-4-6-17(22)7-5-16/h3-8,13,18H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyNPPBGZOCJIPSKE-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.05
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide (PubChem CID 8590309) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide
PubChem CID8590309
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN2O2/c1-15-3-8-20(26-2)19(13-15)21(25)23-18-9-11-24(12-10-18)14-16-4-6-17(22)7-5-16/h3-8,13,18H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyNPPBGZOCJIPSKE-UHFFFAOYSA-N
XLogP4.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 8590242
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 45015995
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 72911709
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
CID 51239211
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,3-dimethylbenzamide
CID 55957612
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108552263
3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide
CID 24504215

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide (CID 8590309) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide?
The InChIKey is NPPBGZOCJIPSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-15-3-8-20(26-2)19(13-15)21(25)23-18-9-11-24(12-10-18)14-16-4-6-17(22)7-5-16/h3-8,13,18H,9-12,14H2,1-2H3,(H,23,25).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide has a molecular weight of 372.90 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 8590309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).