(6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one

C21H25N3O2S — CID 137337165

IUPAC(6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one
SMILESO=C1CN(C2CCN(C(=O)c3cccs3)CC2)C[C@H](Cc2ccccc2)N1
InChIInChI=1S/C21H25N3O2S/c25-20-15-24(14-17(22-20)13-16-5-2-1-3-6-16)18-8-10-23(11-9-18)21(26)19-7-4-12-27-19/h1-7,12,17-18H,8-11,13-15H2,(H,22,25)/t17-/m0/s1
InChIKeyDBWJARNPOVGIFW-KRWDZBQOSA-N
MW383.52 g/mol
LogP2.40
Rot. Bonds4

About (6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one

(6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one (PubChem CID 137337165) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is (6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name(6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one
PubChem CID137337165
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name(6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one
SMILESO=C1CN(C2CCN(C(=O)c3cccs3)CC2)C[C@H](Cc2ccccc2)N1
InChIInChI=1S/C21H25N3O2S/c25-20-15-24(14-17(22-20)13-16-5-2-1-3-6-16)18-8-10-23(11-9-18)21(26)19-7-4-12-27-19/h1-7,12,17-18H,8-11,13-15H2,(H,22,25)/t17-/m0/s1
InChIKeyDBWJARNPOVGIFW-KRWDZBQOSA-N
XLogP2.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 42693568
(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110874320
(5S)-5-benzyl-3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 41215552
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421
(7R,9aR)-7-benzyl-2-(thiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56856006
4-[[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95873674
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710651
(3aS,7aR)-3-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 24883080
2-(4-benzylpiperidin-1-ium-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8543374
2-benzyl-8-(thiophene-2-carbonyl)-3,6,7,9,10,10a-hexahydropyrazino[1,2-d][1,4]diazepine-1,4-dione;hydrochloride
CID 146064906
(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
CID 82242378

Frequently Asked Questions

What is the IUPAC name of (6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one?
The IUPAC name of (6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one (CID 137337165) is (6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one.
What is the SMILES notation for (6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one?
The canonical SMILES for (6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one is O=C1CN(C2CCN(C(=O)c3cccs3)CC2)C[C@H](Cc2ccccc2)N1.
What is the InChIKey of (6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one?
The InChIKey is DBWJARNPOVGIFW-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25N3O2S/c25-20-15-24(14-17(22-20)13-16-5-2-1-3-6-16)18-8-10-23(11-9-18)21(26)19-7-4-12-27-19/h1-7,12,17-18H,8-11,13-15H2,(H,22,25)/t17-/m0/s1.
What are the key properties of (6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one?
(6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one has a molecular weight of 383.52 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one is sourced from PubChem (CID 137337165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).