3-cyclopentyl-1-[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]propan-1-one

C19H35N3O — CID 91925175

IUPAC3-cyclopentyl-1-[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]propan-1-one
SMILESCCC1(N2CCN(C)CC2)CCN(C(=O)CCC2CCCC2)C1
InChIInChI=1S/C19H35N3O/c1-3-19(22-14-12-20(2)13-15-22)10-11-21(16-19)18(23)9-8-17-6-4-5-7-17/h17H,3-16H2,1-2H3
InChIKeyACJKMUWPYLKUEH-UHFFFAOYSA-N
MW321.51 g/mol
LogP2.59
Rot. Bonds5

About 3-cyclopentyl-1-[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]propan-1-one

3-cyclopentyl-1-[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 91925175) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID91925175
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name3-cyclopentyl-1-[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]propan-1-one
SMILESCCC1(N2CCN(C)CC2)CCN(C(=O)CCC2CCCC2)C1
InChIInChI=1S/C19H35N3O/c1-3-19(22-14-12-20(2)13-15-22)10-11-21(16-19)18(23)9-8-17-6-4-5-7-17/h17H,3-16H2,1-2H3
InChIKeyACJKMUWPYLKUEH-UHFFFAOYSA-N
XLogP2.59
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]propan-1-one (CID 91925175) is 3-cyclopentyl-1-[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]propan-1-one is CCC1(N2CCN(C)CC2)CCN(C(=O)CCC2CCCC2)C1.
What is the InChIKey of 3-cyclopentyl-1-[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is ACJKMUWPYLKUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/c1-3-19(22-14-12-20(2)13-15-22)10-11-21(16-19)18(23)9-8-17-6-4-5-7-17/h17H,3-16H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]propan-1-one?
3-cyclopentyl-1-[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 321.51 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 91925175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).