1-(2-quinolin-2-ylsulfanylpropanoyl)piperidine-3-carboxamide

C18H21N3O2S — CID 134037835

IUPAC1-(2-quinolin-2-ylsulfanylpropanoyl)piperidine-3-carboxamide
SMILESCC(Sc1ccc2ccccc2n1)C(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C18H21N3O2S/c1-12(18(23)21-10-4-6-14(11-21)17(19)22)24-16-9-8-13-5-2-3-7-15(13)20-16/h2-3,5,7-9,12,14H,4,6,10-11H2,1H3,(H2,19,22)
InChIKeyBLQZBTOHNRUSCH-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.44
Rot. Bonds4

About 1-(2-quinolin-2-ylsulfanylpropanoyl)piperidine-3-carboxamide

1-(2-quinolin-2-ylsulfanylpropanoyl)piperidine-3-carboxamide (PubChem CID 134037835) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-(2-quinolin-2-ylsulfanylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-quinolin-2-ylsulfanylpropanoyl)piperidine-3-carboxamide
PubChem CID134037835
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-(2-quinolin-2-ylsulfanylpropanoyl)piperidine-3-carboxamide
SMILESCC(Sc1ccc2ccccc2n1)C(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C18H21N3O2S/c1-12(18(23)21-10-4-6-14(11-21)17(19)22)24-16-9-8-13-5-2-3-7-15(13)20-16/h2-3,5,7-9,12,14H,4,6,10-11H2,1H3,(H2,19,22)
InChIKeyBLQZBTOHNRUSCH-UHFFFAOYSA-N
XLogP2.44
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2R)-2-(3-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide
CID 125129797
(3R)-1-[(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-3-carboxamide
CID 30267330
(2R)-2-quinolin-2-ylsulfanylpropanoic acid
CID 950909
(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
CID 172908504
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 112781150
1-(2-sulfanylpropanoyl)piperidine-3-carboxamide
CID 107019311
(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-quinolin-2-ylsulfanylpropan-1-one
CID 7754971
(3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide
CID 32735224
1-(2-chloropropanoyl)piperidine-3-carboxamide
CID 24691104
1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide
CID 134037918
(3R)-1-[(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanoyl]piperidine-3-carboxamide
CID 100835643
(3S)-1-[(2R)-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanoyl]piperidine-3-carboxamide
CID 97003287

Frequently Asked Questions

What is the IUPAC name of 1-(2-quinolin-2-ylsulfanylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-quinolin-2-ylsulfanylpropanoyl)piperidine-3-carboxamide (CID 134037835) is 1-(2-quinolin-2-ylsulfanylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-quinolin-2-ylsulfanylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-quinolin-2-ylsulfanylpropanoyl)piperidine-3-carboxamide is CC(Sc1ccc2ccccc2n1)C(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-(2-quinolin-2-ylsulfanylpropanoyl)piperidine-3-carboxamide?
The InChIKey is BLQZBTOHNRUSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12(18(23)21-10-4-6-14(11-21)17(19)22)24-16-9-8-13-5-2-3-7-15(13)20-16/h2-3,5,7-9,12,14H,4,6,10-11H2,1H3,(H2,19,22).
What are the key properties of 1-(2-quinolin-2-ylsulfanylpropanoyl)piperidine-3-carboxamide?
1-(2-quinolin-2-ylsulfanylpropanoyl)piperidine-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-quinolin-2-ylsulfanylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 134037835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).