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

C23H35N3O — CID 660400

IUPAC3-cyclopentyl-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C23H35N3O/c27-23(11-10-20-6-4-5-7-20)26-14-12-22(13-15-26)25-18-16-24(17-19-25)21-8-2-1-3-9-21/h1-3,8-9,20,22H,4-7,10-19H2
InChIKeyADCJCJBRMPHSLA-UHFFFAOYSA-N
MW369.55 g/mol
LogP3.77
Rot. Bonds5

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

3-cyclopentyl-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one (PubChem CID 660400) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one
PubChem CID660400
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name3-cyclopentyl-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C23H35N3O/c27-23(11-10-20-6-4-5-7-20)26-14-12-22(13-15-26)25-18-16-24(17-19-25)21-8-2-1-3-9-21/h1-3,8-9,20,22H,4-7,10-19H2
InChIKeyADCJCJBRMPHSLA-UHFFFAOYSA-N
XLogP3.77
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 53.77
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-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one (CID 660400) is 3-cyclopentyl-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCC(N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one?
The InChIKey is ADCJCJBRMPHSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O/c27-23(11-10-20-6-4-5-7-20)26-14-12-22(13-15-26)25-18-16-24(17-19-25)21-8-2-1-3-9-21/h1-3,8-9,20,22H,4-7,10-19H2.
What are the key properties of 3-cyclopentyl-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one has a molecular weight of 369.55 g/mol, XLogP of 3.77, 5 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-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 660400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).