2-methylpropyl 2-(2-oxocyclopentyl)piperidine-1-carboxylate

C15H25NO3 — CID 79544850

IUPAC2-methylpropyl 2-(2-oxocyclopentyl)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCCCC1C1CCCC1=O
InChIInChI=1S/C15H25NO3/c1-11(2)10-19-15(18)16-9-4-3-7-13(16)12-6-5-8-14(12)17/h11-13H,3-10H2,1-2H3
InChIKeyXPEZAJWZVDHHFM-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.00
Rot. Bonds3

About 2-methylpropyl 2-(2-oxocyclopentyl)piperidine-1-carboxylate

2-methylpropyl 2-(2-oxocyclopentyl)piperidine-1-carboxylate (PubChem CID 79544850) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-methylpropyl 2-(2-oxocyclopentyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-(2-oxocyclopentyl)piperidine-1-carboxylate
PubChem CID79544850
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-methylpropyl 2-(2-oxocyclopentyl)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCCCC1C1CCCC1=O
InChIInChI=1S/C15H25NO3/c1-11(2)10-19-15(18)16-9-4-3-7-13(16)12-6-5-8-14(12)17/h11-13H,3-10H2,1-2H3
InChIKeyXPEZAJWZVDHHFM-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 2-(2-oxocyclohexyl)pyrrolidine-1-carboxylate
CID 79545937
2-(1-butanoylpiperidin-2-yl)cyclopentan-1-one
CID 79545289
2,2-dimethylpropyl (3aS,7aS)-4-oxo-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
CID 67232929
propyl 4-oxo-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
CID 67173352
2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one
CID 79544925
2-methylpropyl 2-(2-hydroxycyclohexyl)pyrrolidine-1-carboxylate
CID 79549343
2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one
CID 81329846
1-(2-methylpropoxycarbonyl)piperidine-2-carboxylic acid
CID 43176408
N-ethyl-N-methyl-2-(2-oxocyclohexyl)piperidine-1-carboxamide
CID 79553640
2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 115870238
2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide
CID 79544313
2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one
CID 103020598

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(2-oxocyclopentyl)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 2-(2-oxocyclopentyl)piperidine-1-carboxylate (CID 79544850) is 2-methylpropyl 2-(2-oxocyclopentyl)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-(2-oxocyclopentyl)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 2-(2-oxocyclopentyl)piperidine-1-carboxylate is CC(C)COC(=O)N1CCCCC1C1CCCC1=O.
What is the InChIKey of 2-methylpropyl 2-(2-oxocyclopentyl)piperidine-1-carboxylate?
The InChIKey is XPEZAJWZVDHHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)10-19-15(18)16-9-4-3-7-13(16)12-6-5-8-14(12)17/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-methylpropyl 2-(2-oxocyclopentyl)piperidine-1-carboxylate?
2-methylpropyl 2-(2-oxocyclopentyl)piperidine-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(2-oxocyclopentyl)piperidine-1-carboxylate is sourced from PubChem (CID 79544850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).