N-[(3-chloro-4-methylsulfonylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide

C15H19ClN2O4S — CID 136536148

IUPACN-[(3-chloro-4-methylsulfonylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1=O
InChIInChI=1S/C15H19ClN2O4S/c1-18-6-5-11(8-14(18)19)15(20)17-9-10-3-4-13(12(16)7-10)23(2,21)22/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,17,20)
InChIKeyFHUSARCZFVNBGU-UHFFFAOYSA-N
MW358.85 g/mol
LogP1.23
Rot. Bonds4

About N-[(3-chloro-4-methylsulfonylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide

N-[(3-chloro-4-methylsulfonylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide (PubChem CID 136536148) has the molecular formula C15H19ClN2O4S and a molecular weight of 358.85 g/mol. Its IUPAC name is N-[(3-chloro-4-methylsulfonylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methylsulfonylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
PubChem CID136536148
Molecular FormulaC15H19ClN2O4S
Molecular Weight358.85 g/mol
Exact Mass358.08
IUPAC NameN-[(3-chloro-4-methylsulfonylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1=O
InChIInChI=1S/C15H19ClN2O4S/c1-18-6-5-11(8-14(18)19)15(20)17-9-10-3-4-13(12(16)7-10)23(2,21)22/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,17,20)
InChIKeyFHUSARCZFVNBGU-UHFFFAOYSA-N
XLogP1.23
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94036187
(4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94144419
1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 75461152
2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
CID 124570818
N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 75460632
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278
1-[(3-chloro-4-methylsulfonylphenyl)methyl]-3-[(3R)-4-methylpent-1-yn-3-yl]urea
CID 100691019
1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
CID 75461103
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47042053
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 47864758
N-[[4-[2,5-dimethyl-4-(4-methylpiperidin-1-yl)anilino]-3-methylphenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 168753035
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 2210411

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylsulfonylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-[(3-chloro-4-methylsulfonylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide (CID 136536148) is N-[(3-chloro-4-methylsulfonylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-methylsulfonylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-[(3-chloro-4-methylsulfonylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide is CN1CCC(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1=O.
What is the InChIKey of N-[(3-chloro-4-methylsulfonylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The InChIKey is FHUSARCZFVNBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4S/c1-18-6-5-11(8-14(18)19)15(20)17-9-10-3-4-13(12(16)7-10)23(2,21)22/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-[(3-chloro-4-methylsulfonylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide?
N-[(3-chloro-4-methylsulfonylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylsulfonylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 136536148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).