[(2-cyclopentyl-3-oxopiperazin-1-yl)-phenylmethyl] formate

C17H22N2O3 — CID 174460589

IUPAC[(2-cyclopentyl-3-oxopiperazin-1-yl)-phenylmethyl] formate
SMILESO=COC(c1ccccc1)N1CCNC(=O)C1C1CCCC1
InChIInChI=1S/C17H22N2O3/c20-12-22-17(14-8-2-1-3-9-14)19-11-10-18-16(21)15(19)13-6-4-5-7-13/h1-3,8-9,12-13,15,17H,4-7,10-11H2,(H,18,21)
InChIKeyQLNVIQKWRLVROU-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.85
Rot. Bonds5

About [(2-cyclopentyl-3-oxopiperazin-1-yl)-phenylmethyl] formate

[(2-cyclopentyl-3-oxopiperazin-1-yl)-phenylmethyl] formate (PubChem CID 174460589) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is [(2-cyclopentyl-3-oxopiperazin-1-yl)-phenylmethyl] formate.

Molecular Properties

Compound Name[(2-cyclopentyl-3-oxopiperazin-1-yl)-phenylmethyl] formate
PubChem CID174460589
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name[(2-cyclopentyl-3-oxopiperazin-1-yl)-phenylmethyl] formate
SMILESO=COC(c1ccccc1)N1CCNC(=O)C1C1CCCC1
InChIInChI=1S/C17H22N2O3/c20-12-22-17(14-8-2-1-3-9-14)19-11-10-18-16(21)15(19)13-6-4-5-7-13/h1-3,8-9,12-13,15,17H,4-7,10-11H2,(H,18,21)
InChIKeyQLNVIQKWRLVROU-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[(3-oxopiperazin-1-yl)-phenylmethyl] formate
CID 174438417
[phenyl(piperidin-1-yl)methyl] formate;dihydrochloride
CID 174693585
[(3-carbonofluoridoylpiperidin-1-yl)-phenylmethyl] formate
CID 174926147
N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide
CID 42240993
[phenyl(pyrrolidin-2-yl)methyl] formate
CID 174954003
[[4-[4-(2-chloroethoxy)phenyl]piperidin-1-yl]-phenylmethyl] formate
CID 174978163
3-[hydroxy(phenyl)methyl]pyrrolidin-2-one
CID 142674016
3-(2-hydroxy-2-phenylethyl)piperidin-2-one
CID 104679238
3-[(3-hydroxyphenyl)-phenylmethyl]azepan-2-one
CID 54337179
4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45244864
benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate
CID 42426678
(4aS,8aS)-4-[(1R)-1-phenylethyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124857914

Frequently Asked Questions

What is the IUPAC name of [(2-cyclopentyl-3-oxopiperazin-1-yl)-phenylmethyl] formate?
The IUPAC name of [(2-cyclopentyl-3-oxopiperazin-1-yl)-phenylmethyl] formate (CID 174460589) is [(2-cyclopentyl-3-oxopiperazin-1-yl)-phenylmethyl] formate.
What is the SMILES notation for [(2-cyclopentyl-3-oxopiperazin-1-yl)-phenylmethyl] formate?
The canonical SMILES for [(2-cyclopentyl-3-oxopiperazin-1-yl)-phenylmethyl] formate is O=COC(c1ccccc1)N1CCNC(=O)C1C1CCCC1.
What is the InChIKey of [(2-cyclopentyl-3-oxopiperazin-1-yl)-phenylmethyl] formate?
The InChIKey is QLNVIQKWRLVROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-12-22-17(14-8-2-1-3-9-14)19-11-10-18-16(21)15(19)13-6-4-5-7-13/h1-3,8-9,12-13,15,17H,4-7,10-11H2,(H,18,21).
What are the key properties of [(2-cyclopentyl-3-oxopiperazin-1-yl)-phenylmethyl] formate?
[(2-cyclopentyl-3-oxopiperazin-1-yl)-phenylmethyl] formate has a molecular weight of 302.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-cyclopentyl-3-oxopiperazin-1-yl)-phenylmethyl] formate is sourced from PubChem (CID 174460589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).