N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide

C21H23ClN2O3 — CID 42868356

IUPACN-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide
SMILESCOCC(=O)N1CC(C(=O)Nc2cccc(Cl)c2)CCC1c1ccccc1
InChIInChI=1S/C21H23ClN2O3/c1-27-14-20(25)24-13-16(10-11-19(24)15-6-3-2-4-7-15)21(26)23-18-9-5-8-17(22)12-18/h2-9,12,16,19H,10-11,13-14H2,1H3,(H,23,26)
InChIKeyJDBUOKRNUBLOHL-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.90
Rot. Bonds5

About N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide

N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide (PubChem CID 42868356) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide
PubChem CID42868356
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide
SMILESCOCC(=O)N1CC(C(=O)Nc2cccc(Cl)c2)CCC1c1ccccc1
InChIInChI=1S/C21H23ClN2O3/c1-27-14-20(25)24-13-16(10-11-19(24)15-6-3-2-4-7-15)21(26)23-18-9-5-8-17(22)12-18/h2-9,12,16,19H,10-11,13-14H2,1H3,(H,23,26)
InChIKeyJDBUOKRNUBLOHL-UHFFFAOYSA-N
XLogP3.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide
CID 42849448
1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide
CID 42869809
N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 42869311
N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46071992
6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42849481
6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 42849482
2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid
CID 143538428
4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146679
N-(3-methoxyphenyl)-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide
CID 42849674
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549836

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide (CID 42868356) is N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide is COCC(=O)N1CC(C(=O)Nc2cccc(Cl)c2)CCC1c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide?
The InChIKey is JDBUOKRNUBLOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-27-14-20(25)24-13-16(10-11-19(24)15-6-3-2-4-7-15)21(26)23-18-9-5-8-17(22)12-18/h2-9,12,16,19H,10-11,13-14H2,1H3,(H,23,26).
What are the key properties of N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide?
N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42868356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).