methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate

C12H15NO4 — CID 78919632

IUPACmethyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C12H15NO4/c1-16-12(15)9-3-2-5-13(7-9)11(14)10-4-6-17-8-10/h4,6,8-9H,2-3,5,7H2,1H3/t9-/m0/s1
InChIKeySJDAWPVVKKGPLS-VIFPVBQESA-N
MW237.25 g/mol
LogP1.30
Rot. Bonds2

About methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate

methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate (PubChem CID 78919632) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
PubChem CID78919632
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namemethyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C12H15NO4/c1-16-12(15)9-3-2-5-13(7-9)11(14)10-4-6-17-8-10/h4,6,8-9H,2-3,5,7H2,1H3/t9-/m0/s1
InChIKeySJDAWPVVKKGPLS-VIFPVBQESA-N
XLogP1.30
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-carbonyl)-N,N-dimethylpiperidine-3-carboxamide
CID 42891354
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46568061
methyl 1-(3,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 56593212
methyl (3R,4S)-1-(furan-3-carbonyl)-3-methylpiperidine-4-carboxylate
CID 99794318
(4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 51870501
methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate
CID 110465861
methyl 1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919125
methyl (3S)-1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919478
methyl (3S)-1-(4-cyanobenzoyl)piperidine-3-carboxylate
CID 78919442
1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 46577074

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate (CID 78919632) is methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is SJDAWPVVKKGPLS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-12(15)9-3-2-5-13(7-9)11(14)10-4-6-17-8-10/h4,6,8-9H,2-3,5,7H2,1H3/t9-/m0/s1.
What are the key properties of methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate?
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 237.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 78919632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).