1-[4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one

C22H39N3O2 — CID 24719854

IUPAC1-[4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C(C(=O)N2CCC(C)CC2)C2CCCC2)CC1
InChIInChI=1S/C22H39N3O2/c1-17(2)16-20(26)23-12-14-24(15-13-23)21(19-6-4-5-7-19)22(27)25-10-8-18(3)9-11-25/h17-19,21H,4-16H2,1-3H3
InChIKeyFQZUWLGJSNILRP-UHFFFAOYSA-N
MW377.57 g/mol
LogP2.99
Rot. Bonds5

About 1-[4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one

1-[4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 24719854) has the molecular formula C22H39N3O2 and a molecular weight of 377.57 g/mol. Its IUPAC name is 1-[4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one
PubChem CID24719854
Molecular FormulaC22H39N3O2
Molecular Weight377.57 g/mol
Exact Mass377.30
IUPAC Name1-[4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C(C(=O)N2CCC(C)CC2)C2CCCC2)CC1
InChIInChI=1S/C22H39N3O2/c1-17(2)16-20(26)23-12-14-24(15-13-23)21(19-6-4-5-7-19)22(27)25-10-8-18(3)9-11-25/h17-19,21H,4-16H2,1-3H3
InChIKeyFQZUWLGJSNILRP-UHFFFAOYSA-N
XLogP2.99
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 52.99
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-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one (CID 24719854) is 1-[4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCN(C(C(=O)N2CCC(C)CC2)C2CCCC2)CC1.
What is the InChIKey of 1-[4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is FQZUWLGJSNILRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O2/c1-17(2)16-20(26)23-12-14-24(15-13-23)21(19-6-4-5-7-19)22(27)25-10-8-18(3)9-11-25/h17-19,21H,4-16H2,1-3H3.
What are the key properties of 1-[4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one?
1-[4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 377.57 g/mol, XLogP of 2.99, 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-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 24719854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).