4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1H-pyrimidin-6-one

C16H24N4O2 — CID 136568221

IUPAC4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=C(CCC1CCCC1)N1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C16H24N4O2/c21-15-11-14(17-12-18-15)19-7-9-20(10-8-19)16(22)6-5-13-3-1-2-4-13/h11-13H,1-10H2,(H,17,18,21)
InChIKeyMSIVRCUNCNDDRF-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.39
Rot. Bonds4

About 4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1H-pyrimidin-6-one

4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136568221) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136568221
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=C(CCC1CCCC1)N1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C16H24N4O2/c21-15-11-14(17-12-18-15)19-7-9-20(10-8-19)16(22)6-5-13-3-1-2-4-13/h11-13H,1-10H2,(H,17,18,21)
InChIKeyMSIVRCUNCNDDRF-UHFFFAOYSA-N
XLogP1.39
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136568221) is 4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1H-pyrimidin-6-one is O=C(CCC1CCCC1)N1CCN(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is MSIVRCUNCNDDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15-11-14(17-12-18-15)19-7-9-20(10-8-19)16(22)6-5-13-3-1-2-4-13/h11-13H,1-10H2,(H,17,18,21).
What are the key properties of 4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 304.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136568221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).