tert-butyl 4-[(1S)-3-cyanocyclopent-2-en-1-yl]piperazine-1-carboxylate

C15H23N3O2 — CID 118685810

IUPACtert-butyl 4-[(1S)-3-cyanocyclopent-2-en-1-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN([C@@H]2C=C(C#N)CC2)CC1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-8-6-17(7-9-18)13-5-4-12(10-13)11-16/h10,13H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyHWRIZWZEFLQAHE-ZDUSSCGKSA-N
MW277.37 g/mol
LogP2.15
Rot. Bonds1

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

tert-butyl 4-[(1S)-3-cyanocyclopent-2-en-1-yl]piperazine-1-carboxylate (PubChem CID 118685810) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl 4-[(1S)-3-cyanocyclopent-2-en-1-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1S)-3-cyanocyclopent-2-en-1-yl]piperazine-1-carboxylate
PubChem CID118685810
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nametert-butyl 4-[(1S)-3-cyanocyclopent-2-en-1-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN([C@@H]2C=C(C#N)CC2)CC1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-8-6-17(7-9-18)13-5-4-12(10-13)11-16/h10,13H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyHWRIZWZEFLQAHE-ZDUSSCGKSA-N
XLogP2.15
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(1R)-3-[2-(trimethyl-λ4-sulfanyl)ethynyl]cyclopent-2-en-1-yl]piperazine-1-carboxylate
CID 146534741
tert-butyl 4-[(1R)-3-methoxycyclopent-2-en-1-yl]piperazine-1-carboxylate
CID 153468131
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584
tert-butyl 4-[1-(4-cyanophenyl)piperidin-4-yl]piperazine-1-carboxylate
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tert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate
CID 82123805
tert-butyl N-[(1R)-3-cyanocyclopent-2-en-1-yl]carbamate
CID 118685831
tert-butyl 4-(2-hydroxycyclohexyl)-1,4-diazepane-1-carboxylate
CID 115772291
tert-butyl 4-(5-cyanothiophen-2-yl)piperidine-1-carboxylate
CID 178075956
tert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate
CID 129462828
tert-butyl 4-formylpiperidine-1-carboxylate;methanol
CID 162380340
tert-butyl 4-[(7S)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]piperazine-1-carboxylate
CID 67986525
tert-butyl 4-[1-(4-aminophenyl)sulfanylpiperidin-4-yl]piperazine-1-carboxylate;ethane;methane
CID 177052719

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1S)-3-cyanocyclopent-2-en-1-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1S)-3-cyanocyclopent-2-en-1-yl]piperazine-1-carboxylate (CID 118685810) is tert-butyl 4-[(1S)-3-cyanocyclopent-2-en-1-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1S)-3-cyanocyclopent-2-en-1-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1S)-3-cyanocyclopent-2-en-1-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN([C@@H]2C=C(C#N)CC2)CC1.
What is the InChIKey of tert-butyl 4-[(1S)-3-cyanocyclopent-2-en-1-yl]piperazine-1-carboxylate?
The InChIKey is HWRIZWZEFLQAHE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-8-6-17(7-9-18)13-5-4-12(10-13)11-16/h10,13H,4-9H2,1-3H3/t13-/m0/s1.
What are the key properties of tert-butyl 4-[(1S)-3-cyanocyclopent-2-en-1-yl]piperazine-1-carboxylate?
tert-butyl 4-[(1S)-3-cyanocyclopent-2-en-1-yl]piperazine-1-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1S)-3-cyanocyclopent-2-en-1-yl]piperazine-1-carboxylate is sourced from PubChem (CID 118685810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).