1-[4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylbutan-1-one

C21H37N3O2 — CID 24719813

IUPAC1-[4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCN(C(C(=O)N2CCCCC2)C2CCCC2)CC1
InChIInChI=1S/C21H37N3O2/c1-3-17(2)20(25)24-15-13-22(14-16-24)19(18-9-5-6-10-18)21(26)23-11-7-4-8-12-23/h17-19H,3-16H2,1-2H3
InChIKeyCVWIHPDPZHBURW-UHFFFAOYSA-N
MW363.55 g/mol
LogP2.75
Rot. Bonds5

About 1-[4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylbutan-1-one

1-[4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylbutan-1-one (PubChem CID 24719813) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 1-[4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylbutan-1-one
PubChem CID24719813
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC Name1-[4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCN(C(C(=O)N2CCCCC2)C2CCCC2)CC1
InChIInChI=1S/C21H37N3O2/c1-3-17(2)20(25)24-15-13-22(14-16-24)19(18-9-5-6-10-18)21(26)23-11-7-4-8-12-23/h17-19H,3-16H2,1-2H3
InChIKeyCVWIHPDPZHBURW-UHFFFAOYSA-N
XLogP2.75
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylbutan-1-one?
The IUPAC name of 1-[4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylbutan-1-one (CID 24719813) is 1-[4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for 1-[4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for 1-[4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylbutan-1-one is CCC(C)C(=O)N1CCN(C(C(=O)N2CCCCC2)C2CCCC2)CC1.
What is the InChIKey of 1-[4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylbutan-1-one?
The InChIKey is CVWIHPDPZHBURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2/c1-3-17(2)20(25)24-15-13-22(14-16-24)19(18-9-5-6-10-18)21(26)23-11-7-4-8-12-23/h17-19H,3-16H2,1-2H3.
What are the key properties of 1-[4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylbutan-1-one?
1-[4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylbutan-1-one has a molecular weight of 363.55 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 24719813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).