methyl 5-carbamoylpiperidine-2-carboxylate

C8H14N2O3 — CID 130740109

IUPACmethyl 5-carbamoylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCC(C(N)=O)CN1
InChIInChI=1S/C8H14N2O3/c1-13-8(12)6-3-2-5(4-10-6)7(9)11/h5-6,10H,2-4H2,1H3,(H2,9,11)
InChIKeyKPXGHSMUKBLWTC-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.99
Rot. Bonds2

About methyl 5-carbamoylpiperidine-2-carboxylate

methyl 5-carbamoylpiperidine-2-carboxylate (PubChem CID 130740109) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 5-carbamoylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-carbamoylpiperidine-2-carboxylate
PubChem CID130740109
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl 5-carbamoylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCC(C(N)=O)CN1
InChIInChI=1S/C8H14N2O3/c1-13-8(12)6-3-2-5(4-10-6)7(9)11/h5-6,10H,2-4H2,1H3,(H2,9,11)
InChIKeyKPXGHSMUKBLWTC-UHFFFAOYSA-N
XLogP-0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxycarbonylpiperidine-3-carboxylic acid
CID 19699657
ethyl 5-carbamoylpiperidine-2-carboxylate
CID 165453986
methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl 5-cyclohexylpiperidine-2-carboxylate
CID 146049469
methyl 5-tert-butylpiperidine-2-carboxylate
CID 138987475
methyl 5-(trifluoromethyl)piperidine-2-carboxylate;hydrochloride
CID 164886197
methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate
CID 178103396
methyl (3R,6S)-6-methylpiperidine-3-carboxylate
CID 59277634
methyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate
CID 143889099
methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate
CID 163224942
methyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride
CID 101043498
methyl (2S,5S)-5-methylpiperazine-2-carboxylate
CID 124669231

Frequently Asked Questions

What is the IUPAC name of methyl 5-carbamoylpiperidine-2-carboxylate?
The IUPAC name of methyl 5-carbamoylpiperidine-2-carboxylate (CID 130740109) is methyl 5-carbamoylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 5-carbamoylpiperidine-2-carboxylate?
The canonical SMILES for methyl 5-carbamoylpiperidine-2-carboxylate is COC(=O)C1CCC(C(N)=O)CN1.
What is the InChIKey of methyl 5-carbamoylpiperidine-2-carboxylate?
The InChIKey is KPXGHSMUKBLWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-13-8(12)6-3-2-5(4-10-6)7(9)11/h5-6,10H,2-4H2,1H3,(H2,9,11).
What are the key properties of methyl 5-carbamoylpiperidine-2-carboxylate?
methyl 5-carbamoylpiperidine-2-carboxylate has a molecular weight of 186.21 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-carbamoylpiperidine-2-carboxylate is sourced from PubChem (CID 130740109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).