1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one

C27H29N3O4S — CID 56514902

IUPAC1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one
SMILESO=C(C(c1ccccc1)N1CCCCC1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C27H29N3O4S/c31-25-12-6-7-15-30(25)26(22-9-2-1-3-10-22)27(32)28-16-18-29(19-17-28)35(33,34)24-14-13-21-8-4-5-11-23(21)20-24/h1-5,8-11,13-14,20,26H,6-7,12,15-19H2
InChIKeyJYPSPVGNTKIHIU-UHFFFAOYSA-N
MW491.61 g/mol
LogP3.43
Rot. Bonds5

About 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one

1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one (PubChem CID 56514902) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one
PubChem CID56514902
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC Name1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one
SMILESO=C(C(c1ccccc1)N1CCCCC1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C27H29N3O4S/c31-25-12-6-7-15-30(25)26(22-9-2-1-3-10-22)27(32)28-16-18-29(19-17-28)35(33,34)24-14-13-21-8-4-5-11-23(21)20-24/h1-5,8-11,13-14,20,26H,6-7,12,15-19H2
InChIKeyJYPSPVGNTKIHIU-UHFFFAOYSA-N
XLogP3.43
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one with MolForge

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Related Compounds

N,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide
CID 56516350
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
1-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504647
(2R)-1-(azepan-1-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 9493876
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-phenylmethanone;oxalic acid
CID 163326596
1-methylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 126477286
1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504681
(2S)-2-amino-3,3-dimethyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one;hydrochloride
CID 119678251
(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638802
1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one
CID 56577826
1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56506103
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56506114

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one?
The IUPAC name of 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one (CID 56514902) is 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one?
The canonical SMILES for 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one is O=C(C(c1ccccc1)N1CCCCC1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one?
The InChIKey is JYPSPVGNTKIHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c31-25-12-6-7-15-30(25)26(22-9-2-1-3-10-22)27(32)28-16-18-29(19-17-28)35(33,34)24-14-13-21-8-4-5-11-23(21)20-24/h1-5,8-11,13-14,20,26H,6-7,12,15-19H2.
What are the key properties of 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one?
1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one has a molecular weight of 491.61 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one is sourced from PubChem (CID 56514902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).