N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide

C15H19ClN2O4S — CID 136527689

IUPACN-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)NC1CCCN(c2ccccc2Cl)C1=O)S(C)(=O)=O
InChIInChI=1S/C15H19ClN2O4S/c1-10(23(2,21)22)14(19)17-12-7-5-9-18(15(12)20)13-8-4-3-6-11(13)16/h3-4,6,8,10,12H,5,7,9H2,1-2H3,(H,17,19)
InChIKeyNXICZSMWJQSBHM-UHFFFAOYSA-N
MW358.85 g/mol
LogP1.38
Rot. Bonds4

About N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide

N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide (PubChem CID 136527689) has the molecular formula C15H19ClN2O4S and a molecular weight of 358.85 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide
PubChem CID136527689
Molecular FormulaC15H19ClN2O4S
Molecular Weight358.85 g/mol
Exact Mass358.08
IUPAC NameN-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)NC1CCCN(c2ccccc2Cl)C1=O)S(C)(=O)=O
InChIInChI=1S/C15H19ClN2O4S/c1-10(23(2,21)22)14(19)17-12-7-5-9-18(15(12)20)13-8-4-3-6-11(13)16/h3-4,6,8,10,12H,5,7,9H2,1-2H3,(H,17,19)
InChIKeyNXICZSMWJQSBHM-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-phenylacetamide;hydrochloride
CID 119334565
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide
CID 120500650
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
CID 71994500
2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794855
(2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide
CID 97000579
(3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one
CID 97318754
1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide
CID 119334574
(2R,4R)-N-[(3R)-1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 124701714
1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122001630
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119802811
1-(2-chlorophenyl)-3-hydroxypiperidin-2-one
CID 117014113
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride
CID 119802816

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide (CID 136527689) is N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide is CC(C(=O)NC1CCCN(c2ccccc2Cl)C1=O)S(C)(=O)=O.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide?
The InChIKey is NXICZSMWJQSBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4S/c1-10(23(2,21)22)14(19)17-12-7-5-9-18(15(12)20)13-8-4-3-6-11(13)16/h3-4,6,8,10,12H,5,7,9H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide?
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide has a molecular weight of 358.85 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 136527689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).