methyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate

C15H25NO4 — CID 78954860

IUPACmethyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)CCC2CCCCO2)C1
InChIInChI=1S/C15H25NO4/c1-19-15(18)12-5-4-9-16(11-12)14(17)8-7-13-6-2-3-10-20-13/h12-13H,2-11H2,1H3/t12-,13?/m0/s1
InChIKeyRWGNGTJAZOBXSP-UEWDXFNNSA-N
MW283.37 g/mol
LogP1.75
Rot. Bonds4

About methyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate

methyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate (PubChem CID 78954860) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate
PubChem CID78954860
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Namemethyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)CCC2CCCCO2)C1
InChIInChI=1S/C15H25NO4/c1-19-15(18)12-5-4-9-16(11-12)14(17)8-7-13-6-2-3-10-20-13/h12-13H,2-11H2,1H3/t12-,13?/m0/s1
InChIKeyRWGNGTJAZOBXSP-UEWDXFNNSA-N
XLogP1.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate 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

methyl 1-(3-cyclopentylpropanoyl)piperidine-3-carboxylate
CID 78919049
1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 47026166
4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 110465779
methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate
CID 78919532
methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate
CID 115538681
1-[3-(methylaminomethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62048304
5-(3-methoxycarbonylpiperidin-1-yl)-5-oxopentanoic acid
CID 115534000
1-(3-chloro-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 102961397
methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate
CID 78919382
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
methyl 1-octadecanoylpiperidine-3-carboxylate
CID 108731341
methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate
CID 78919240

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate (CID 78954860) is methyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(C(=O)CCC2CCCCO2)C1.
What is the InChIKey of methyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate?
The InChIKey is RWGNGTJAZOBXSP-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H25NO4/c1-19-15(18)12-5-4-9-16(11-12)14(17)8-7-13-6-2-3-10-20-13/h12-13H,2-11H2,1H3/t12-,13?/m0/s1.
What are the key properties of methyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate?
methyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 78954860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).