3-cyclopentyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one

C18H25N3O2 — CID 644598

IUPAC3-cyclopentyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C18H25N3O2/c22-17(8-7-15-4-1-2-5-15)20-10-12-21(13-11-20)18(23)16-6-3-9-19-14-16/h3,6,9,14-15H,1-2,4-5,7-8,10-13H2
InChIKeyPTXTZGMLSFZUTQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.34
Rot. Bonds4

About 3-cyclopentyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 644598) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID644598
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-cyclopentyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C18H25N3O2/c22-17(8-7-15-4-1-2-5-15)20-10-12-21(13-11-20)18(23)16-6-3-9-19-14-16/h3,6,9,14-15H,1-2,4-5,7-8,10-13H2
InChIKeyPTXTZGMLSFZUTQ-UHFFFAOYSA-N
XLogP2.34
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.34
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-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one (CID 644598) is 3-cyclopentyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is PTXTZGMLSFZUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17(8-7-15-4-1-2-5-15)20-10-12-21(13-11-20)18(23)16-6-3-9-19-14-16/h3,6,9,14-15H,1-2,4-5,7-8,10-13H2.
What are the key properties of 3-cyclopentyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 315.42 g/mol, XLogP of 2.34, 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-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 644598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).