(2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

C22H33N3O2S — CID 93208442

IUPAC(2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC1CCN(C(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C22H33N3O2S/c1-17-8-10-24(11-9-17)22(27)20(18-5-2-3-6-18)23-12-14-25(15-13-23)21(26)19-7-4-16-28-19/h4,7,16-18,20H,2-3,5-6,8-15H2,1H3/t20-/m0/s1
InChIKeyKCQCEGZESYNXDZ-FQEVSTJZSA-N
MW403.59 g/mol
LogP3.32
Rot. Bonds4

About (2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

(2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 93208442) has the molecular formula C22H33N3O2S and a molecular weight of 403.59 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID93208442
Molecular FormulaC22H33N3O2S
Molecular Weight403.59 g/mol
Exact Mass403.23
IUPAC Name(2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC1CCN(C(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C22H33N3O2S/c1-17-8-10-24(11-9-17)22(27)20(18-5-2-3-6-18)23-12-14-25(15-13-23)21(26)19-7-4-16-28-19/h4,7,16-18,20H,2-3,5-6,8-15H2,1H3/t20-/m0/s1
InChIKeyKCQCEGZESYNXDZ-FQEVSTJZSA-N
XLogP3.32
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.59
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

(2R)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 93208441
1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 78795769
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 42842497
2-cyclopentyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 42842812
(2R)-2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 93210434
2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 46024650
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 24719212
(2R)-2-cyclopentyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 93209207
N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 93221455
4-[(1S)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221460
2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of (2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 93208442) is (2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for (2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for (2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is CC1CCN(C(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3cccs3)CC2)CC1.
What is the InChIKey of (2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is KCQCEGZESYNXDZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H33N3O2S/c1-17-8-10-24(11-9-17)22(27)20(18-5-2-3-6-18)23-12-14-25(15-13-23)21(26)19-7-4-16-28-19/h4,7,16-18,20H,2-3,5-6,8-15H2,1H3/t20-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
(2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 403.59 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 93208442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).