(3R)-4-[(2R)-2-cyclopentyloxybutanoyl]-3-thiophen-2-ylpiperazin-2-one

C17H24N2O3S — CID 95898826

IUPAC(3R)-4-[(2R)-2-cyclopentyloxybutanoyl]-3-thiophen-2-ylpiperazin-2-one
SMILESCC[C@@H](OC1CCCC1)C(=O)N1CCNC(=O)[C@@H]1c1cccs1
InChIInChI=1S/C17H24N2O3S/c1-2-13(22-12-6-3-4-7-12)17(21)19-10-9-18-16(20)15(19)14-8-5-11-23-14/h5,8,11-13,15H,2-4,6-7,9-10H2,1H3,(H,18,20)/t13-,15+/m1/s1
InChIKeyORSIBWOWUXRUBD-HIFRSBDPSA-N
MW336.46 g/mol
LogP2.49
Rot. Bonds5

About (3R)-4-[(2R)-2-cyclopentyloxybutanoyl]-3-thiophen-2-ylpiperazin-2-one

(3R)-4-[(2R)-2-cyclopentyloxybutanoyl]-3-thiophen-2-ylpiperazin-2-one (PubChem CID 95898826) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (3R)-4-[(2R)-2-cyclopentyloxybutanoyl]-3-thiophen-2-ylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[(2R)-2-cyclopentyloxybutanoyl]-3-thiophen-2-ylpiperazin-2-one
PubChem CID95898826
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(3R)-4-[(2R)-2-cyclopentyloxybutanoyl]-3-thiophen-2-ylpiperazin-2-one
SMILESCC[C@@H](OC1CCCC1)C(=O)N1CCNC(=O)[C@@H]1c1cccs1
InChIInChI=1S/C17H24N2O3S/c1-2-13(22-12-6-3-4-7-12)17(21)19-10-9-18-16(20)15(19)14-8-5-11-23-14/h5,8,11-13,15H,2-4,6-7,9-10H2,1H3,(H,18,20)/t13-,15+/m1/s1
InChIKeyORSIBWOWUXRUBD-HIFRSBDPSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2R)-2-cyclopentyloxybutanoyl]-3-thiophen-2-ylpiperazin-2-one?
The IUPAC name of (3R)-4-[(2R)-2-cyclopentyloxybutanoyl]-3-thiophen-2-ylpiperazin-2-one (CID 95898826) is (3R)-4-[(2R)-2-cyclopentyloxybutanoyl]-3-thiophen-2-ylpiperazin-2-one.
What is the SMILES notation for (3R)-4-[(2R)-2-cyclopentyloxybutanoyl]-3-thiophen-2-ylpiperazin-2-one?
The canonical SMILES for (3R)-4-[(2R)-2-cyclopentyloxybutanoyl]-3-thiophen-2-ylpiperazin-2-one is CC[C@@H](OC1CCCC1)C(=O)N1CCNC(=O)[C@@H]1c1cccs1.
What is the InChIKey of (3R)-4-[(2R)-2-cyclopentyloxybutanoyl]-3-thiophen-2-ylpiperazin-2-one?
The InChIKey is ORSIBWOWUXRUBD-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-2-13(22-12-6-3-4-7-12)17(21)19-10-9-18-16(20)15(19)14-8-5-11-23-14/h5,8,11-13,15H,2-4,6-7,9-10H2,1H3,(H,18,20)/t13-,15+/m1/s1.
What are the key properties of (3R)-4-[(2R)-2-cyclopentyloxybutanoyl]-3-thiophen-2-ylpiperazin-2-one?
(3R)-4-[(2R)-2-cyclopentyloxybutanoyl]-3-thiophen-2-ylpiperazin-2-one has a molecular weight of 336.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2R)-2-cyclopentyloxybutanoyl]-3-thiophen-2-ylpiperazin-2-one is sourced from PubChem (CID 95898826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).