tert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate

C14H21NO4 — CID 174717068

IUPACtert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)CC1C(=O)C1CC1
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-13(18)15-7-6-10(16)8-11(15)12(17)9-4-5-9/h9,11H,4-8H2,1-3H3
InChIKeyZFFRBAUDIGBCCQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.93
Rot. Bonds2

About tert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate

tert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate (PubChem CID 174717068) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is tert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate
PubChem CID174717068
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nametert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)CC1C(=O)C1CC1
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-13(18)15-7-6-10(16)8-11(15)12(17)9-4-5-9/h9,11H,4-8H2,1-3H3
InChIKeyZFFRBAUDIGBCCQ-UHFFFAOYSA-N
XLogP1.93
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate
CID 118595373
tert-butyl 2-acetyl-4-oxopiperidine-1-carboxylate
CID 77452835
1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate
CID 15928262
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopiperidine-1-carboxylate
CID 141148809
tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate
CID 167717714
tert-butyl 4-hydroxy-2-methylpiperidine-1-carboxylate;tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate
CID 160752889
tert-butyl 7-oxo-3,4,5,5a,6,8,9,9a-octahydro-2H-benzo[b]azepine-1-carboxylate
CID 83488863
tert-butyl 4-oxo-2-prop-2-enylpiperidine-1-carboxylate
CID 18340820
tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate
CID 139022722
ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
1-O-tert-butyl 2-O-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl] pyrrolidine-1,2-dicarboxylate
CID 14237873

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate (CID 174717068) is tert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=O)CC1C(=O)C1CC1.
What is the InChIKey of tert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate?
The InChIKey is ZFFRBAUDIGBCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2,3)19-13(18)15-7-6-10(16)8-11(15)12(17)9-4-5-9/h9,11H,4-8H2,1-3H3.
What are the key properties of tert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate?
tert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 174717068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).