3-cyclopentyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

C15H28N2O — CID 796378

IUPAC3-cyclopentyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-13(2)16-9-11-17(12-10-16)15(18)8-7-14-5-3-4-6-14/h13-14H,3-12H2,1-2H3
InChIKeyIHXDQGQKFBXOSR-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.51
Rot. Bonds4

About 3-cyclopentyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

3-cyclopentyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 796378) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-cyclopentyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID796378
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-cyclopentyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-13(2)16-9-11-17(12-10-16)15(18)8-7-14-5-3-4-6-14/h13-14H,3-12H2,1-2H3
InChIKeyIHXDQGQKFBXOSR-UHFFFAOYSA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 796378) is 3-cyclopentyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is CC(C)N1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 3-cyclopentyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is IHXDQGQKFBXOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(2)16-9-11-17(12-10-16)15(18)8-7-14-5-3-4-6-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
3-cyclopentyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 796378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).