(3-cyclopropylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

C15H22N2O2S — CID 56779936

IUPAC(3-cyclopropylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)c2sccc2C2CC2)CC1
InChIInChI=1S/C15H22N2O2S/c1-11(18)10-16-5-7-17(8-6-16)15(19)14-13(4-9-20-14)12-2-3-12/h4,9,11-12,18H,2-3,5-8,10H2,1H3
InChIKeyXVYMJUCZYDIMBB-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.76
Rot. Bonds4

About (3-cyclopropylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

(3-cyclopropylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (PubChem CID 56779936) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (3-cyclopropylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
PubChem CID56779936
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(3-cyclopropylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)c2sccc2C2CC2)CC1
InChIInChI=1S/C15H22N2O2S/c1-11(18)10-16-5-7-17(8-6-16)15(19)14-13(4-9-20-14)12-2-3-12/h4,9,11-12,18H,2-3,5-8,10H2,1H3
InChIKeyXVYMJUCZYDIMBB-UHFFFAOYSA-N
XLogP1.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-Hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 16239644
[4-(2-Hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2349442
3-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide
CID 47452087
3-cyclopropyl-N-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 53556375
3-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 53565516
(3-Cyclopropylthiophen-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 53603432
(3-Cyclopropylthiophen-2-yl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 53617249
(3-Ethylthiophen-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 53619016
[4-(2-Hydroxybutyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone
CID 53620365
(3-Ethylthiophen-2-yl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 53622381
2-[4-(2-Hydroxy-2-methylpropyl)piperazine-1-carbonyl]thiophene-3-carbonitrile
CID 53625079
(3-Ethylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779929

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The IUPAC name of (3-cyclopropylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (CID 56779936) is (3-cyclopropylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-cyclopropylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is CC(O)CN1CCN(C(=O)c2sccc2C2CC2)CC1.
What is the InChIKey of (3-cyclopropylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The InChIKey is XVYMJUCZYDIMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11(18)10-16-5-7-17(8-6-16)15(19)14-13(4-9-20-14)12-2-3-12/h4,9,11-12,18H,2-3,5-8,10H2,1H3.
What are the key properties of (3-cyclopropylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
(3-cyclopropylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone has a molecular weight of 294.42 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56779936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).