1-cyclopentyl-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one

C18H26N4O2S — CID 72883016

IUPAC1-cyclopentyl-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESO=C(C1CCC(=O)N(C2CCCC2)C1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H26N4O2S/c23-16-6-5-14(13-22(16)15-3-1-2-4-15)17(24)20-8-10-21(11-9-20)18-19-7-12-25-18/h7,12,14-15H,1-6,8-11,13H2
InChIKeyYICUXMNFBBUNTF-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.97
Rot. Bonds3

About 1-cyclopentyl-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one

1-cyclopentyl-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 72883016) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-cyclopentyl-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID72883016
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name1-cyclopentyl-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESO=C(C1CCC(=O)N(C2CCCC2)C1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H26N4O2S/c23-16-6-5-14(13-22(16)15-3-1-2-4-15)17(24)20-8-10-21(11-9-20)18-19-7-12-25-18/h7,12,14-15H,1-6,8-11,13H2
InChIKeyYICUXMNFBBUNTF-UHFFFAOYSA-N
XLogP1.97
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-6-isopropyl-2-((2-(3-methyl-4-(thiazol-2-yl)piperazin-1-yl)-2-oxoethyl)thio)pyrimidin-4(3H)-one
CID 168679277
2-((2-oxo-2-(4-(thiazol-2-yl)piperazin-1-yl)ethyl)thio)-6-propylpyrimidin-4(3H)-one
CID 168679296
6-isopropyl-2-((2-oxo-2-(4-(thiazol-2-yl)piperazin-1-yl)ethyl)thio)pyrimidin-4(3H)-one
CID 168679298
1-(4-Methylpiperidin-1-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 45802978
1-Piperidin-1-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 53521179
4-[2-(Dimethylamino)ethyl]-1-methyl-9-(1,3-thiazol-2-yl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398693
4-(Cyclopropylmethyl)-1-methyl-9-(1,3-thiazol-2-yl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398725
1-Methyl-4-(2-methylpropyl)-9-(1,3-thiazol-2-yl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495702
1-{[(3R*,5S*)-5-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]carbonyl}-4-(1,3-thiazol-2-yl)piperazine
CID 72906587
N1-cyclopropyl-N3-(thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 47307512
[2-(1-Methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone
CID 53575254
N-cyclopropyl-N-[4-(4-propylpiperazin-1-yl)pentyl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 72114439

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-cyclopentyl-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one (CID 72883016) is 1-cyclopentyl-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-cyclopentyl-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-cyclopentyl-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one is O=C(C1CCC(=O)N(C2CCCC2)C1)N1CCN(c2nccs2)CC1.
What is the InChIKey of 1-cyclopentyl-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is YICUXMNFBBUNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c23-16-6-5-14(13-22(16)15-3-1-2-4-15)17(24)20-8-10-21(11-9-20)18-19-7-12-25-18/h7,12,14-15H,1-6,8-11,13H2.
What are the key properties of 1-cyclopentyl-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one?
1-cyclopentyl-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 362.50 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 72883016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).