N-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide

C21H31N3O4S — CID 91954008

IUPACN-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3C)CC1
InChIInChI=1S/C21H31N3O4S/c1-14(2)22-20(26)15-8-10-24(11-9-15)29(27,28)16-6-7-18-17(12-16)21(3,4)13-19(25)23(18)5/h6-7,12,14-15H,8-11,13H2,1-5H3,(H,22,26)
InChIKeyAFEYDXKZZZNTNP-UHFFFAOYSA-N
MW421.56 g/mol
LogP2.26
Rot. Bonds4

About N-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide

N-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 91954008) has the molecular formula C21H31N3O4S and a molecular weight of 421.56 g/mol. Its IUPAC name is N-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID91954008
Molecular FormulaC21H31N3O4S
Molecular Weight421.56 g/mol
Exact Mass421.20
IUPAC NameN-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3C)CC1
InChIInChI=1S/C21H31N3O4S/c1-14(2)22-20(26)15-8-10-24(11-9-15)29(27,28)16-6-7-18-17(12-16)21(3,4)13-19(25)23(18)5/h6-7,12,14-15H,8-11,13H2,1-5H3,(H,22,26)
InChIKeyAFEYDXKZZZNTNP-UHFFFAOYSA-N
XLogP2.26
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one
CID 91938381
N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22552128
N-(3-methylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22519320
N-(4-methyl-2-pyridinyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22582650
1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 26273466
1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one
CID 22519310
1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53106217
1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one
CID 20938186
1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 60599241
N-[(2R)-butan-2-yl]-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide
CID 92877058
N-(3-methylbutan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 43001842
(3S)-N-(4-methyl-2-pyridinyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92681811

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide (CID 91954008) is N-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide is CC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3C)CC1.
What is the InChIKey of N-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is AFEYDXKZZZNTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4S/c1-14(2)22-20(26)15-8-10-24(11-9-15)29(27,28)16-6-7-18-17(12-16)21(3,4)13-19(25)23(18)5/h6-7,12,14-15H,8-11,13H2,1-5H3,(H,22,26).
What are the key properties of N-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
N-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 421.56 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 91954008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).