phenyl 4-cyclopentylpiperazine-1-carboxylate

C16H22N2O2 — CID 60745355

IUPACphenyl 4-cyclopentylpiperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H22N2O2/c19-16(20-15-8-2-1-3-9-15)18-12-10-17(11-13-18)14-6-4-5-7-14/h1-3,8-9,14H,4-7,10-13H2
InChIKeyOMOBLKOSXKYKCH-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.75
Rot. Bonds2

About phenyl 4-cyclopentylpiperazine-1-carboxylate

phenyl 4-cyclopentylpiperazine-1-carboxylate (PubChem CID 60745355) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is phenyl 4-cyclopentylpiperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-cyclopentylpiperazine-1-carboxylate
PubChem CID60745355
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namephenyl 4-cyclopentylpiperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H22N2O2/c19-16(20-15-8-2-1-3-9-15)18-12-10-17(11-13-18)14-6-4-5-7-14/h1-3,8-9,14H,4-7,10-13H2
InChIKeyOMOBLKOSXKYKCH-UHFFFAOYSA-N
XLogP2.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate
CID 63719182
(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 55584193
phenyl 4-(cyclobutanecarbonyl)-1,4-diazepane-1-carboxylate
CID 110799294
(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one
CID 42561059
1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 110741288
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 141023786
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
phenyl 4-methyl-1,4-diazepane-1-carboxylate
CID 60637805
phenyl 4-cyanopiperidine-1-carboxylate
CID 62077915
phenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 80552619
phenyl 4-phenyl-1,4-diazepane-1-carboxylate
CID 110873802

Frequently Asked Questions

What is the IUPAC name of phenyl 4-cyclopentylpiperazine-1-carboxylate?
The IUPAC name of phenyl 4-cyclopentylpiperazine-1-carboxylate (CID 60745355) is phenyl 4-cyclopentylpiperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-cyclopentylpiperazine-1-carboxylate?
The canonical SMILES for phenyl 4-cyclopentylpiperazine-1-carboxylate is O=C(Oc1ccccc1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of phenyl 4-cyclopentylpiperazine-1-carboxylate?
The InChIKey is OMOBLKOSXKYKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(20-15-8-2-1-3-9-15)18-12-10-17(11-13-18)14-6-4-5-7-14/h1-3,8-9,14H,4-7,10-13H2.
What are the key properties of phenyl 4-cyclopentylpiperazine-1-carboxylate?
phenyl 4-cyclopentylpiperazine-1-carboxylate has a molecular weight of 274.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-cyclopentylpiperazine-1-carboxylate is sourced from PubChem (CID 60745355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).