2-[4-(cyclopentylmethyl)piperazin-1-yl]-5-fluoro-1H-pyrimidin-6-one

C14H21FN4O — CID 39818054

IUPAC2-[4-(cyclopentylmethyl)piperazin-1-yl]-5-fluoro-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCN(CC3CCCC3)CC2)ncc1F
InChIInChI=1S/C14H21FN4O/c15-12-9-16-14(17-13(12)20)19-7-5-18(6-8-19)10-11-3-1-2-4-11/h9,11H,1-8,10H2,(H,16,17,20)
InChIKeyPSPARVAKUWIDCQ-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.22
Rot. Bonds3

About 2-[4-(cyclopentylmethyl)piperazin-1-yl]-5-fluoro-1H-pyrimidin-6-one

2-[4-(cyclopentylmethyl)piperazin-1-yl]-5-fluoro-1H-pyrimidin-6-one (PubChem CID 39818054) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[4-(cyclopentylmethyl)piperazin-1-yl]-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(cyclopentylmethyl)piperazin-1-yl]-5-fluoro-1H-pyrimidin-6-one
PubChem CID39818054
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name2-[4-(cyclopentylmethyl)piperazin-1-yl]-5-fluoro-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCN(CC3CCCC3)CC2)ncc1F
InChIInChI=1S/C14H21FN4O/c15-12-9-16-14(17-13(12)20)19-7-5-18(6-8-19)10-11-3-1-2-4-11/h9,11H,1-8,10H2,(H,16,17,20)
InChIKeyPSPARVAKUWIDCQ-UHFFFAOYSA-N
XLogP1.22
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylmethyl)piperazin-1-yl]-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(cyclopentylmethyl)piperazin-1-yl]-5-fluoro-1H-pyrimidin-6-one (CID 39818054) is 2-[4-(cyclopentylmethyl)piperazin-1-yl]-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(cyclopentylmethyl)piperazin-1-yl]-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(cyclopentylmethyl)piperazin-1-yl]-5-fluoro-1H-pyrimidin-6-one is O=c1[nH]c(N2CCN(CC3CCCC3)CC2)ncc1F.
What is the InChIKey of 2-[4-(cyclopentylmethyl)piperazin-1-yl]-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is PSPARVAKUWIDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c15-12-9-16-14(17-13(12)20)19-7-5-18(6-8-19)10-11-3-1-2-4-11/h9,11H,1-8,10H2,(H,16,17,20).
What are the key properties of 2-[4-(cyclopentylmethyl)piperazin-1-yl]-5-fluoro-1H-pyrimidin-6-one?
2-[4-(cyclopentylmethyl)piperazin-1-yl]-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 280.35 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentylmethyl)piperazin-1-yl]-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 39818054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).