methyl 4-cyclopentylpiperazine-1-carboxylate

C11H20N2O2 — CID 110708898

IUPACmethyl 4-cyclopentylpiperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C11H20N2O2/c1-15-11(14)13-8-6-12(7-9-13)10-4-2-3-5-10/h10H,2-9H2,1H3
InChIKeySIKYOSFJLAMDSH-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.31
Rot. Bonds1

About methyl 4-cyclopentylpiperazine-1-carboxylate

methyl 4-cyclopentylpiperazine-1-carboxylate (PubChem CID 110708898) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 4-cyclopentylpiperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyclopentylpiperazine-1-carboxylate
PubChem CID110708898
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namemethyl 4-cyclopentylpiperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C11H20N2O2/c1-15-11(14)13-8-6-12(7-9-13)10-4-2-3-5-10/h10H,2-9H2,1H3
InChIKeySIKYOSFJLAMDSH-UHFFFAOYSA-N
XLogP1.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584
1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate
CID 166675225
(4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate
CID 91217548
methyl 4-(2,2-dimethylpiperidin-4-yl)piperazine-1-carboxylate
CID 115269382
4-cyclopentylpiperazine-1-carboxamide
CID 57205906
(4-cyclopentylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 121184728
methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate
CID 110818476
methyl 4-[4-[(3aS,7aS)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate
CID 24883206
methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 60700298
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
1,4-dicyclopentylpiperazine;oxalic acid
CID 17369822

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclopentylpiperazine-1-carboxylate?
The IUPAC name of methyl 4-cyclopentylpiperazine-1-carboxylate (CID 110708898) is methyl 4-cyclopentylpiperazine-1-carboxylate.
What is the SMILES notation for methyl 4-cyclopentylpiperazine-1-carboxylate?
The canonical SMILES for methyl 4-cyclopentylpiperazine-1-carboxylate is COC(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of methyl 4-cyclopentylpiperazine-1-carboxylate?
The InChIKey is SIKYOSFJLAMDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-11(14)13-8-6-12(7-9-13)10-4-2-3-5-10/h10H,2-9H2,1H3.
What are the key properties of methyl 4-cyclopentylpiperazine-1-carboxylate?
methyl 4-cyclopentylpiperazine-1-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclopentylpiperazine-1-carboxylate is sourced from PubChem (CID 110708898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).