1-(cyclopentylmethyl)-4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-2-one

C18H25FN2O2 — CID 167946863

IUPAC1-(cyclopentylmethyl)-4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-2-one
SMILESCOc1ccc(F)c(CN2CCN(CC3CCCC3)C(=O)C2)c1
InChIInChI=1S/C18H25FN2O2/c1-23-16-6-7-17(19)15(10-16)12-20-8-9-21(18(22)13-20)11-14-4-2-3-5-14/h6-7,10,14H,2-5,8-9,11-13H2,1H3
InChIKeyIYGKUOLTCCCGDA-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.67
Rot. Bonds5

About 1-(cyclopentylmethyl)-4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-2-one

1-(cyclopentylmethyl)-4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-2-one (PubChem CID 167946863) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-2-one
PubChem CID167946863
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name1-(cyclopentylmethyl)-4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-2-one
SMILESCOc1ccc(F)c(CN2CCN(CC3CCCC3)C(=O)C2)c1
InChIInChI=1S/C18H25FN2O2/c1-23-16-6-7-17(19)15(10-16)12-20-8-9-21(18(22)13-20)11-14-4-2-3-5-14/h6-7,10,14H,2-5,8-9,11-13H2,1H3
InChIKeyIYGKUOLTCCCGDA-UHFFFAOYSA-N
XLogP2.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-2-one?
The IUPAC name of 1-(cyclopentylmethyl)-4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-2-one (CID 167946863) is 1-(cyclopentylmethyl)-4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 1-(cyclopentylmethyl)-4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-2-one?
The canonical SMILES for 1-(cyclopentylmethyl)-4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-2-one is COc1ccc(F)c(CN2CCN(CC3CCCC3)C(=O)C2)c1.
What is the InChIKey of 1-(cyclopentylmethyl)-4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-2-one?
The InChIKey is IYGKUOLTCCCGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-23-16-6-7-17(19)15(10-16)12-20-8-9-21(18(22)13-20)11-14-4-2-3-5-14/h6-7,10,14H,2-5,8-9,11-13H2,1H3.
What are the key properties of 1-(cyclopentylmethyl)-4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-2-one?
1-(cyclopentylmethyl)-4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-2-one has a molecular weight of 320.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 167946863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).