(3R)-N-(6-ethylsulfanyl-3-pyridinyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide

C17H24N4O2S — CID 95622518

IUPAC(3R)-N-(6-ethylsulfanyl-3-pyridinyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
SMILESCCSc1ccc(NC(=O)N2CCC[C@@H](N3CCCC3=O)C2)cn1
InChIInChI=1S/C17H24N4O2S/c1-2-24-15-8-7-13(11-18-15)19-17(23)20-9-3-5-14(12-20)21-10-4-6-16(21)22/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyAKACRGCZVUAHLV-CQSZACIVSA-N
MW348.47 g/mol
LogP2.81
Rot. Bonds4

About (3R)-N-(6-ethylsulfanyl-3-pyridinyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide

(3R)-N-(6-ethylsulfanyl-3-pyridinyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide (PubChem CID 95622518) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is (3R)-N-(6-ethylsulfanyl-3-pyridinyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(6-ethylsulfanyl-3-pyridinyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
PubChem CID95622518
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name(3R)-N-(6-ethylsulfanyl-3-pyridinyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
SMILESCCSc1ccc(NC(=O)N2CCC[C@@H](N3CCCC3=O)C2)cn1
InChIInChI=1S/C17H24N4O2S/c1-2-24-15-8-7-13(11-18-15)19-17(23)20-9-3-5-14(12-20)21-10-4-6-16(21)22/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyAKACRGCZVUAHLV-CQSZACIVSA-N
XLogP2.81
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-ethylsulfanyl-3-pyridinyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 56787895
(3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 95622514
methyl 2-chloro-5-[[(3R)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]amino]benzoate
CID 97433884
(3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 95765233
(9aS)-N-(6-chloro-3-pyridinyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 118789483
(10aR)-N-(4-methylphenyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-3-carboxamide
CID 131993361
(3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 95765390
1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one
CID 99116117
N-[4-(azepane-1-carbonyl)phenyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 127706362
(3R)-N-(4-fluorophenyl)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 94782811
1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one
CID 110025342
1-[1-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]piperidin-3-yl]pyrrolidin-2-one
CID 77091056

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(6-ethylsulfanyl-3-pyridinyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(6-ethylsulfanyl-3-pyridinyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide (CID 95622518) is (3R)-N-(6-ethylsulfanyl-3-pyridinyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(6-ethylsulfanyl-3-pyridinyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(6-ethylsulfanyl-3-pyridinyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide is CCSc1ccc(NC(=O)N2CCC[C@@H](N3CCCC3=O)C2)cn1.
What is the InChIKey of (3R)-N-(6-ethylsulfanyl-3-pyridinyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide?
The InChIKey is AKACRGCZVUAHLV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-2-24-15-8-7-13(11-18-15)19-17(23)20-9-3-5-14(12-20)21-10-4-6-16(21)22/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,19,23)/t14-/m1/s1.
What are the key properties of (3R)-N-(6-ethylsulfanyl-3-pyridinyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide?
(3R)-N-(6-ethylsulfanyl-3-pyridinyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(6-ethylsulfanyl-3-pyridinyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 95622518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).