tert-butyl 4-[(1-acetamidocyclopropanecarbonyl)amino]piperidine-1-carboxylate

C16H27N3O4 — CID 155233863

IUPACtert-butyl 4-[(1-acetamidocyclopropanecarbonyl)amino]piperidine-1-carboxylate
SMILESCC(=O)NC1(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H27N3O4/c1-11(20)18-16(7-8-16)13(21)17-12-5-9-19(10-6-12)14(22)23-15(2,3)4/h12H,5-10H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyUNMVDAQJGALEGT-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.17
Rot. Bonds3

About tert-butyl 4-[(1-acetamidocyclopropanecarbonyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(1-acetamidocyclopropanecarbonyl)amino]piperidine-1-carboxylate (PubChem CID 155233863) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl 4-[(1-acetamidocyclopropanecarbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1-acetamidocyclopropanecarbonyl)amino]piperidine-1-carboxylate
PubChem CID155233863
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Nametert-butyl 4-[(1-acetamidocyclopropanecarbonyl)amino]piperidine-1-carboxylate
SMILESCC(=O)NC1(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H27N3O4/c1-11(20)18-16(7-8-16)13(21)17-12-5-9-19(10-6-12)14(22)23-15(2,3)4/h12H,5-10H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyUNMVDAQJGALEGT-UHFFFAOYSA-N
XLogP1.17
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate
CID 126454930
tert-butyl 4-(1-acetamidocyclopropyl)piperidine-1-carboxylate
CID 171084730
tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate
CID 71940585
tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 53255659
tert-butyl 4-(2,2,3-trimethylbut-3-enoylamino)piperidine-1-carboxylate
CID 126819529
tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43652168
tert-butyl 4-[[1-[(4-fluorophenyl)methyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 169209417
tert-butyl 4-[1-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate
CID 103729502
tert-butyl 4-(ethenylcarbamoylamino)piperidine-1-carboxylate
CID 108909382
tert-butyl 4-[(2-nitroacetyl)amino]piperidine-1-carboxylate
CID 108814591
tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
CID 43652189
tert-butyl 4-[[2-(thietan-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 126824092

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1-acetamidocyclopropanecarbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1-acetamidocyclopropanecarbonyl)amino]piperidine-1-carboxylate (CID 155233863) is tert-butyl 4-[(1-acetamidocyclopropanecarbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1-acetamidocyclopropanecarbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1-acetamidocyclopropanecarbonyl)amino]piperidine-1-carboxylate is CC(=O)NC1(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-[(1-acetamidocyclopropanecarbonyl)amino]piperidine-1-carboxylate?
The InChIKey is UNMVDAQJGALEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-11(20)18-16(7-8-16)13(21)17-12-5-9-19(10-6-12)14(22)23-15(2,3)4/h12H,5-10H2,1-4H3,(H,17,21)(H,18,20).
What are the key properties of tert-butyl 4-[(1-acetamidocyclopropanecarbonyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(1-acetamidocyclopropanecarbonyl)amino]piperidine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1-acetamidocyclopropanecarbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 155233863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).