N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

C21H25ClN2O2 — CID 43921688

IUPACN-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CN2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1
InChIInChI=1S/C21H25ClN2O2/c1-15-6-7-18(13-20(15)22)23-21(25)17-8-10-24(11-9-17)14-16-4-3-5-19(12-16)26-2/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,25)
InChIKeyZYPZCMCFOKAZBZ-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.51
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 43921688) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID43921688
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CN2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1
InChIInChI=1S/C21H25ClN2O2/c1-15-6-7-18(13-20(15)22)23-21(25)17-8-10-24(11-9-17)14-16-4-3-5-19(12-16)26-2/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,25)
InChIKeyZYPZCMCFOKAZBZ-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921689
1-[(3-methoxyphenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919627
1-[(3-ethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919703
N-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921809
N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910107
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 53284530
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
N-[(3-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284778
N-(4-bromo-3-chlorophenyl)-1-[(3-bromophenyl)methyl]piperidine-4-carboxamide
CID 43924887

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 43921688) is N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1cccc(CN2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is ZYPZCMCFOKAZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-15-6-7-18(13-20(15)22)23-21(25)17-8-10-24(11-9-17)14-16-4-3-5-19(12-16)26-2/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43921688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).