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

C18H33N3O — CID 806400

IUPAC3-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one
SMILESCN1CCN(C2CCN(C(=O)CCC3CCCC3)CC2)CC1
InChIInChI=1S/C18H33N3O/c1-19-12-14-20(15-13-19)17-8-10-21(11-9-17)18(22)7-6-16-4-2-3-5-16/h16-17H,2-15H2,1H3
InChIKeyCEXXOOMVPDEUKX-UHFFFAOYSA-N
MW307.48 g/mol
LogP2.20
Rot. Bonds4

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

3-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one (PubChem CID 806400) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one
PubChem CID806400
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name3-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one
SMILESCN1CCN(C2CCN(C(=O)CCC3CCCC3)CC2)CC1
InChIInChI=1S/C18H33N3O/c1-19-12-14-20(15-13-19)17-8-10-21(11-9-17)18(22)7-6-16-4-2-3-5-16/h16-17H,2-15H2,1H3
InChIKeyCEXXOOMVPDEUKX-UHFFFAOYSA-N
XLogP2.20
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one (CID 806400) is 3-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one is CN1CCN(C2CCN(C(=O)CCC3CCCC3)CC2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one?
The InChIKey is CEXXOOMVPDEUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-19-12-14-20(15-13-19)17-8-10-21(11-9-17)18(22)7-6-16-4-2-3-5-16/h16-17H,2-15H2,1H3.
What are the key properties of 3-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one has a molecular weight of 307.48 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 806400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).