(2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide

C20H20Cl2N2O2 — CID 71454380

IUPAC(2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H20Cl2N2O2/c21-16-10-9-15(17(22)11-16)12-23-20(26)18-7-4-8-19(25)24(18)13-14-5-2-1-3-6-14/h1-3,5-6,9-11,18H,4,7-8,12-13H2,(H,23,26)/t18-/m1/s1
InChIKeyJSQPJZBDPXREDG-GOSISDBHSA-N
MW391.30 g/mol
LogP4.19
Rot. Bonds5

About (2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide

(2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide (PubChem CID 71454380) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is (2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
PubChem CID71454380
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name(2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H20Cl2N2O2/c21-16-10-9-15(17(22)11-16)12-23-20(26)18-7-4-8-19(25)24(18)13-14-5-2-1-3-6-14/h1-3,5-6,9-11,18H,4,7-8,12-13H2,(H,23,26)/t18-/m1/s1
InChIKeyJSQPJZBDPXREDG-GOSISDBHSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-[(2,5-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
CID 25015841
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587
N-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide
CID 25015842
1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812161
1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 15923287
(2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide
CID 139551537
methyl 1-benzyl-6-oxopiperidine-2-carboxylate
CID 23525582
N-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146133050
N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43918749
N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55973603
(2S)-1-[(2-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 1477432
2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide
CID 139551398

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide (CID 71454380) is (2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCC(=O)N1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide?
The InChIKey is JSQPJZBDPXREDG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c21-16-10-9-15(17(22)11-16)12-23-20(26)18-7-4-8-19(25)24(18)13-14-5-2-1-3-6-14/h1-3,5-6,9-11,18H,4,7-8,12-13H2,(H,23,26)/t18-/m1/s1.
What are the key properties of (2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide?
(2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide has a molecular weight of 391.30 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 71454380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).