1-benzyl-N-[(2,5-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide

C20H20Cl2N2O2 — CID 25015841

IUPAC1-benzyl-N-[(2,5-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1Cl)C1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H20Cl2N2O2/c21-16-9-10-17(22)15(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)
InChIKeyWTBGYWZFUQEKPA-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.19
Rot. Bonds5

About 1-benzyl-N-[(2,5-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide

1-benzyl-N-[(2,5-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide (PubChem CID 25015841) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-benzyl-N-[(2,5-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2,5-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
PubChem CID25015841
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name1-benzyl-N-[(2,5-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1Cl)C1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H20Cl2N2O2/c21-16-9-10-17(22)15(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)
InChIKeyWTBGYWZFUQEKPA-UHFFFAOYSA-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

(2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
CID 71454380
N-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide
CID 25015842
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587
1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812161
methyl 1-benzyl-6-oxopiperidine-2-carboxylate
CID 23525582
(6S)-1-benzyl-6-propanoylpiperidin-2-one
CID 134835246
N-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146133050
N-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide
CID 66644739
1-benzyl-N-[2-(2-hydroxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110614844
(2S)-1-[(2-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 1477432
1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide
CID 110625068
(2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739125

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2,5-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-[(2,5-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide (CID 25015841) is 1-benzyl-N-[(2,5-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2,5-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2,5-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide is O=C(NCc1cc(Cl)ccc1Cl)C1CCCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[(2,5-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide?
The InChIKey is WTBGYWZFUQEKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c21-16-9-10-17(22)15(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).
What are the key properties of 1-benzyl-N-[(2,5-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide?
1-benzyl-N-[(2,5-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 1-benzyl-N-[(2,5-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 25015841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).