tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate

C17H30N2O3 — CID 11529681

IUPACtert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(21)19-12-10-18(11-13-19)15(20)9-8-14-6-4-5-7-14/h14H,4-13H2,1-3H3
InChIKeyIVIAMANNEHGLNY-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.04
Rot. Bonds3

About tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate

tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate (PubChem CID 11529681) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate
PubChem CID11529681
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(21)19-12-10-18(11-13-19)15(20)9-8-14-6-4-5-7-14/h14H,4-13H2,1-3H3
InChIKeyIVIAMANNEHGLNY-UHFFFAOYSA-N
XLogP3.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[3-(1,1-dioxothiolan-3-yl)propanoyl]piperazine-1-carboxylate
CID 110312089
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate
CID 108902696
1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate
CID 22611912
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
CID 2756824
tert-butyl 4-(2-bromoacetyl)piperazine-1-carboxylate
CID 15829155
tert-butyl 7-nonyl-azacyclododecane-1-carboxylate
CID 139299125
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580
1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 80677357
tert-butyl (4S)-4-(hydroxymethyl)azepane-1-carboxylate
CID 86326135
tert-butyl 4-[3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanoyl]piperazine-1-carboxylate
CID 95103020
tert-butyl 4-[3-[(3S)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanoyl]piperazine-1-carboxylate
CID 95103021

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate (CID 11529681) is tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate?
The InChIKey is IVIAMANNEHGLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-17(2,3)22-16(21)19-12-10-18(11-13-19)15(20)9-8-14-6-4-5-7-14/h14H,4-13H2,1-3H3.
What are the key properties of tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate?
tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 11529681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).