tert-butyl 4-(1-acetamidocyclopropyl)piperidine-1-carboxylate

C15H26N2O3 — CID 171084730

IUPACtert-butyl 4-(1-acetamidocyclopropyl)piperidine-1-carboxylate
SMILESCC(=O)NC1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C15H26N2O3/c1-11(18)16-15(7-8-15)12-5-9-17(10-6-12)13(19)20-14(2,3)4/h12H,5-10H2,1-4H3,(H,16,18)
InChIKeyZMXUPLXAMVFHAM-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.30
Rot. Bonds2

About tert-butyl 4-(1-acetamidocyclopropyl)piperidine-1-carboxylate

tert-butyl 4-(1-acetamidocyclopropyl)piperidine-1-carboxylate (PubChem CID 171084730) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl 4-(1-acetamidocyclopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-acetamidocyclopropyl)piperidine-1-carboxylate
PubChem CID171084730
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl 4-(1-acetamidocyclopropyl)piperidine-1-carboxylate
SMILESCC(=O)NC1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C15H26N2O3/c1-11(18)16-15(7-8-15)12-5-9-17(10-6-12)13(19)20-14(2,3)4/h12H,5-10H2,1-4H3,(H,16,18)
InChIKeyZMXUPLXAMVFHAM-UHFFFAOYSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(1-hydroxycyclopropyl)piperidine-1-carboxylate
CID 84801090
tert-butyl 4-[(1-acetamidocyclopropanecarbonyl)amino]piperidine-1-carboxylate
CID 155233863
tert-butyl 3-[1-[(1-methylcyclopropyl)sulfonylamino]cyclopropyl]pyrrolidine-1-carboxylate
CID 136572704
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclopentane-1-carboxylic acid
CID 57429712
1-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]piperidin-4-yl]cyclopropane-1-carboxylic acid
CID 175130528
tert-butyl 4-[2-(methylamino)propan-2-yl]piperidine-1-carboxylate
CID 84708894
tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate
CID 22179860
tert-butyl (3S)-3-(1-methylcyclohexyl)pyrrolidine-1-carboxylate
CID 154468879
tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43652168
1-O-tert-butyl 4-O-methyl 4-(1-methylpiperidin-4-yl)piperidine-1,4-dicarboxylate
CID 175203279
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-acetamidocyclopropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-acetamidocyclopropyl)piperidine-1-carboxylate (CID 171084730) is tert-butyl 4-(1-acetamidocyclopropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-acetamidocyclopropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-acetamidocyclopropyl)piperidine-1-carboxylate is CC(=O)NC1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-(1-acetamidocyclopropyl)piperidine-1-carboxylate?
The InChIKey is ZMXUPLXAMVFHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(18)16-15(7-8-15)12-5-9-17(10-6-12)13(19)20-14(2,3)4/h12H,5-10H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl 4-(1-acetamidocyclopropyl)piperidine-1-carboxylate?
tert-butyl 4-(1-acetamidocyclopropyl)piperidine-1-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-acetamidocyclopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 171084730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).