[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate

C15H25NO3 — CID 141112484

IUPAC[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate
SMILESO=CO[C@@H](CC1CCCCC1)C(=O)N1CCCCC1
InChIInChI=1S/C15H25NO3/c17-12-19-14(11-13-7-3-1-4-8-13)15(18)16-9-5-2-6-10-16/h12-14H,1-11H2/t14-/m0/s1
InChIKeyXBWRCKKIRXJACY-AWEZNQCLSA-N
MW267.37 g/mol
LogP2.51
Rot. Bonds5

About [(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate

[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate (PubChem CID 141112484) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is [(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate.

Molecular Properties

Compound Name[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate
PubChem CID141112484
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate
SMILESO=CO[C@@H](CC1CCCCC1)C(=O)N1CCCCC1
InChIInChI=1S/C15H25NO3/c17-12-19-14(11-13-7-3-1-4-8-13)15(18)16-9-5-2-6-10-16/h12-14H,1-11H2/t14-/m0/s1
InChIKeyXBWRCKKIRXJACY-AWEZNQCLSA-N
XLogP2.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 59948409
[(2S)-3-cyclohexyl-1-(dimethylamino)-1-oxopropan-2-yl] formate
CID 141112494
2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one
CID 114207905
(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) carbamate
CID 70335727
2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one
CID 62314874
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
[(2S)-3-cyclohexyl-1-[2-methoxyethyl(methyl)amino]-1-oxopropan-2-yl] formate
CID 141112503
2-amino-4-(cyclohexylmethylamino)-1-piperidin-1-ylbutan-1-one;dihydrochloride
CID 69237745
(2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 95629673
4-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,4-diazepane-1-carboxamide
CID 124886345
1-(2-amino-3-cyclohexylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 138041082

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate?
The IUPAC name of [(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate (CID 141112484) is [(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate.
What is the SMILES notation for [(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate?
The canonical SMILES for [(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate is O=CO[C@@H](CC1CCCCC1)C(=O)N1CCCCC1.
What is the InChIKey of [(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate?
The InChIKey is XBWRCKKIRXJACY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25NO3/c17-12-19-14(11-13-7-3-1-4-8-13)15(18)16-9-5-2-6-10-16/h12-14H,1-11H2/t14-/m0/s1.
What are the key properties of [(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate?
[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate has a molecular weight of 267.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate is sourced from PubChem (CID 141112484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).