(3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide

C21H25ClN2O2 — CID 100777734

IUPAC(3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-23(19-9-11-20(26-2)12-10-19)21(25)17-4-3-13-24(15-17)14-16-5-7-18(22)8-6-16/h5-12,17H,3-4,13-15H2,1-2H3/t17-/m1/s1
InChIKeyXROCPUNIFKMKOC-QGZVFWFLSA-N
MW372.90 g/mol
LogP4.22
Rot. Bonds5

About (3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide

(3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 100777734) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is (3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
PubChem CID100777734
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name(3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-23(19-9-11-20(26-2)12-10-19)21(25)17-4-3-13-24(15-17)14-16-5-7-18(22)8-6-16/h5-12,17H,3-4,13-15H2,1-2H3/t17-/m1/s1
InChIKeyXROCPUNIFKMKOC-QGZVFWFLSA-N
XLogP4.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 133159211
(3R)-1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 100777740
(3R)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 100778089
(3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 38105345
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid
CID 662630
1-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]butan-1-one
CID 59730198
(1Z)-1-[amino-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methylidene]-3-(4-methoxyphenyl)urea
CID 177143776
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-3-carboxamide
CID 43930983
N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 86869704
ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate
CID 2838484
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 24791479

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide (CID 100777734) is (3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide is COc1ccc(N(C)C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of (3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is XROCPUNIFKMKOC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-23(19-9-11-20(26-2)12-10-19)21(25)17-4-3-13-24(15-17)14-16-5-7-18(22)8-6-16/h5-12,17H,3-4,13-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide?
(3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 100777734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).