1-cyclopropylethyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate

C15H24N2O2 — CID 164800735

IUPAC1-cyclopropylethyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CN(C(=O)OC(C)C2CC2)CCC1C#N
InChIInChI=1S/C15H24N2O2/c1-10(2)14-9-17(7-6-13(14)8-16)15(18)19-11(3)12-4-5-12/h10-14H,4-7,9H2,1-3H3
InChIKeyZRUCAIFQHOPEKI-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.04
Rot. Bonds3

About 1-cyclopropylethyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate

1-cyclopropylethyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate (PubChem CID 164800735) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-cyclopropylethyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Name1-cyclopropylethyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate
PubChem CID164800735
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-cyclopropylethyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CN(C(=O)OC(C)C2CC2)CCC1C#N
InChIInChI=1S/C15H24N2O2/c1-10(2)14-9-17(7-6-13(14)8-16)15(18)19-11(3)12-4-5-12/h10-14H,4-7,9H2,1-3H3
InChIKeyZRUCAIFQHOPEKI-UHFFFAOYSA-N
XLogP3.04
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate
CID 164981371
1-cyclopropylethyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate;3,3-difluorobutan-2-yl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate;2,2-difluorobutyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate;2,2-dimethylbut-3-ynyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate;1-fluorobutan-2-yl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate;(1-methylcyclopropyl)methyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate
CID 165051757
propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate
CID 130806171
2,2-difluoropropyl 3-cyano-4-propan-2-ylpiperidine-1-carboxylate
CID 164967916
ethyl (3S,4S)-4-cyano-3-fluoropiperidine-1-carboxylate
CID 105452685
propan-2-yl 3-[(1R)-1-cyanoethoxy]pyrrolidine-1-carboxylate
CID 66742434
1-cyclopropylethyl (3R,4S)-3-[4-carbamoyl-3-(4-fluoroanilino)pyrazol-1-yl]-4-cyanopiperidine-1-carboxylate
CID 90343347
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
propan-2-yl 4-(1-cyanoethoxy)piperidine-1-carboxylate
CID 66743137
ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693
tert-butyl 4-cyano-3-hydroxypiperidine-1-carboxylate
CID 54013516
propan-2-yl 2-cyanomorpholine-4-carboxylate
CID 79674867

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of 1-cyclopropylethyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate (CID 164800735) is 1-cyclopropylethyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for 1-cyclopropylethyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for 1-cyclopropylethyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate is CC(C)C1CN(C(=O)OC(C)C2CC2)CCC1C#N.
What is the InChIKey of 1-cyclopropylethyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is ZRUCAIFQHOPEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)14-9-17(7-6-13(14)8-16)15(18)19-11(3)12-4-5-12/h10-14H,4-7,9H2,1-3H3.
What are the key properties of 1-cyclopropylethyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate?
1-cyclopropylethyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 264.37 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 1-cyclopropylethyl 4-cyano-3-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 164800735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).