methyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate

C13H15ClN2O3 — CID 78994553

IUPACmethyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cn2)C1
InChIInChI=1S/C13H15ClN2O3/c1-19-13(18)9-3-2-6-16(8-9)12(17)11-5-4-10(14)7-15-11/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
InChIKeyXSFAJNMGTPCMGE-VIFPVBQESA-N
MW282.73 g/mol
LogP1.76
Rot. Bonds2

About methyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate

methyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate (PubChem CID 78994553) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is methyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate
PubChem CID78994553
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Namemethyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cn2)C1
InChIInChI=1S/C13H15ClN2O3/c1-19-13(18)9-3-2-6-16(8-9)12(17)11-5-4-10(14)7-15-11/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
InChIKeyXSFAJNMGTPCMGE-VIFPVBQESA-N
XLogP1.76
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 78919443
methyl (3S)-1-(2,4-dichlorobenzoyl)piperidine-3-carboxylate
CID 78919345
methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate
CID 78919715
[3-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119594677
[(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 97082738
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039467
[3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119464950
methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 103893902
methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
CID 78919150
methyl 1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919125
methyl (3S)-1-(5-chlorofuran-2-carbonyl)piperidine-3-carboxylate
CID 78919544
methyl (3S)-1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919478

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate (CID 78994553) is methyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cn2)C1.
What is the InChIKey of methyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is XSFAJNMGTPCMGE-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-19-13(18)9-3-2-6-16(8-9)12(17)11-5-4-10(14)7-15-11/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1.
What are the key properties of methyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate?
methyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 282.73 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 78994553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).