1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide

C23H25N3O4S — CID 22549897

IUPAC1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1
InChIInChI=1S/C23H25N3O4S/c27-22-9-6-19-16-20(7-8-21(19)25-22)31(29,30)26-14-11-18(12-15-26)23(28)24-13-10-17-4-2-1-3-5-17/h1-9,16,18H,10-15H2,(H,24,28)(H,25,27)
InChIKeyCSEMYFVJVNBQFW-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.29
Rot. Bonds6

About 1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide

1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 22549897) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID22549897
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1
InChIInChI=1S/C23H25N3O4S/c27-22-9-6-19-16-20(7-8-21(19)25-22)31(29,30)26-14-11-18(12-15-26)23(28)24-13-10-17-4-2-1-3-5-17/h1-9,16,18H,10-15H2,(H,24,28)(H,25,27)
InChIKeyCSEMYFVJVNBQFW-UHFFFAOYSA-N
XLogP2.29
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22549885
N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22549884
1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20926958
6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one
CID 22583482
N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 3911093
N-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903565
N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 32645883
1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8795286
N-[2-(benzylamino)-2-oxoethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 39821890
1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 27741102
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646
1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874904

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide (CID 22549897) is 1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1.
What is the InChIKey of 1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is CSEMYFVJVNBQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c27-22-9-6-19-16-20(7-8-21(19)25-22)31(29,30)26-14-11-18(12-15-26)23(28)24-13-10-17-4-2-1-3-5-17/h1-9,16,18H,10-15H2,(H,24,28)(H,25,27).
What are the key properties of 1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 22549897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).