tert-butyl 4-[(1R)-3-methoxycyclopent-2-en-1-yl]piperazine-1-carboxylate

C15H26N2O3 — CID 153468131

IUPACtert-butyl 4-[(1R)-3-methoxycyclopent-2-en-1-yl]piperazine-1-carboxylate
SMILESCOC1=C[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C15H26N2O3/c1-15(2,3)20-14(18)17-9-7-16(8-10-17)12-5-6-13(11-12)19-4/h11-12H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyXOBDTYRPPKLXRG-GFCCVEGCSA-N
MW282.38 g/mol
LogP2.23
Rot. Bonds2

About tert-butyl 4-[(1R)-3-methoxycyclopent-2-en-1-yl]piperazine-1-carboxylate

tert-butyl 4-[(1R)-3-methoxycyclopent-2-en-1-yl]piperazine-1-carboxylate (PubChem CID 153468131) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl 4-[(1R)-3-methoxycyclopent-2-en-1-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1R)-3-methoxycyclopent-2-en-1-yl]piperazine-1-carboxylate
PubChem CID153468131
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl 4-[(1R)-3-methoxycyclopent-2-en-1-yl]piperazine-1-carboxylate
SMILESCOC1=C[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C15H26N2O3/c1-15(2,3)20-14(18)17-9-7-16(8-10-17)12-5-6-13(11-12)19-4/h11-12H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyXOBDTYRPPKLXRG-GFCCVEGCSA-N
XLogP2.23
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(1S)-3-cyanocyclopent-2-en-1-yl]piperazine-1-carboxylate
CID 118685810
tert-butyl 4-[(1R)-3-[2-(trimethyl-λ4-sulfanyl)ethynyl]cyclopent-2-en-1-yl]piperazine-1-carboxylate
CID 146534741
tert-butyl (1S,4S)-5-(3-methoxycyclopent-2-en-1-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 153468143
tert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate
CID 82123805
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584
tert-butyl 4-(2-hydroxycyclohexyl)-1,4-diazepane-1-carboxylate
CID 115772291
tert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate
CID 129462828
tert-butyl 4-[(7S)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]piperazine-1-carboxylate
CID 67986525
tert-butyl 4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate
CID 85437217
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-[(1S)-2,2-difluorocyclobutyl]piperazine-1-carboxylate
CID 135284315
2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]acetic acid
CID 86722948

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1R)-3-methoxycyclopent-2-en-1-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1R)-3-methoxycyclopent-2-en-1-yl]piperazine-1-carboxylate (CID 153468131) is tert-butyl 4-[(1R)-3-methoxycyclopent-2-en-1-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1R)-3-methoxycyclopent-2-en-1-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1R)-3-methoxycyclopent-2-en-1-yl]piperazine-1-carboxylate is COC1=C[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-[(1R)-3-methoxycyclopent-2-en-1-yl]piperazine-1-carboxylate?
The InChIKey is XOBDTYRPPKLXRG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(2,3)20-14(18)17-9-7-16(8-10-17)12-5-6-13(11-12)19-4/h11-12H,5-10H2,1-4H3/t12-/m1/s1.
What are the key properties of tert-butyl 4-[(1R)-3-methoxycyclopent-2-en-1-yl]piperazine-1-carboxylate?
tert-butyl 4-[(1R)-3-methoxycyclopent-2-en-1-yl]piperazine-1-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1R)-3-methoxycyclopent-2-en-1-yl]piperazine-1-carboxylate is sourced from PubChem (CID 153468131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).