methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate

C12H21NO3 — CID 10513498

IUPACmethyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate
SMILESCCCC(=O)C[C@@H]1CCCCN1C(=O)OC
InChIInChI=1S/C12H21NO3/c1-3-6-11(14)9-10-7-4-5-8-13(10)12(15)16-2/h10H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyKMRQGGJQDAVIPS-JTQLQIEISA-N
MW227.30 g/mol
LogP2.37
Rot. Bonds4

About methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate

methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate (PubChem CID 10513498) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate
PubChem CID10513498
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate
SMILESCCCC(=O)C[C@@H]1CCCCN1C(=O)OC
InChIInChI=1S/C12H21NO3/c1-3-6-11(14)9-10-7-4-5-8-13(10)12(15)16-2/h10H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyKMRQGGJQDAVIPS-JTQLQIEISA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-butanoylpiperidin-2-yl)acetic acid
CID 61010375
methyl 2-dodecylpyrrolidine-1-carboxylate
CID 175232905
methyl 2-(2-hydrazinylethyl)piperidine-1-carboxylate
CID 84670171
methyl 2-(2-hydrazinylethyl)azepane-1-carboxylate
CID 84681171
methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate
CID 112714077
methyl 2-benzylazepane-1-carboxylate
CID 102314657
ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 23251970
benzyl 2-(2-oxoheptyl)pyrrolidine-1-carboxylate
CID 11012572
methyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 11062814
methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate
CID 54916660
butyl 2-(2-chloro-2-oxoethyl)piperidine-1-carboxylate
CID 126513567
methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
CID 61010980

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate?
The IUPAC name of methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate (CID 10513498) is methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate?
The canonical SMILES for methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate is CCCC(=O)C[C@@H]1CCCCN1C(=O)OC.
What is the InChIKey of methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate?
The InChIKey is KMRQGGJQDAVIPS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-6-11(14)9-10-7-4-5-8-13(10)12(15)16-2/h10H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate?
methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate is sourced from PubChem (CID 10513498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).