methyl 1-carbamoylpiperidine-3-carboxylate

C8H14N2O3 — CID 66776661

IUPACmethyl 1-carbamoylpiperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(N)=O)C1
InChIInChI=1S/C8H14N2O3/c1-13-7(11)6-3-2-4-10(5-6)8(9)12/h6H,2-5H2,1H3,(H2,9,12)
InChIKeyLFTDCCRJVPQEBR-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.05
Rot. Bonds1

About methyl 1-carbamoylpiperidine-3-carboxylate

methyl 1-carbamoylpiperidine-3-carboxylate (PubChem CID 66776661) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 1-carbamoylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-carbamoylpiperidine-3-carboxylate
PubChem CID66776661
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl 1-carbamoylpiperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(N)=O)C1
InChIInChI=1S/C8H14N2O3/c1-13-7(11)6-3-2-4-10(5-6)8(9)12/h6H,2-5H2,1H3,(H2,9,12)
InChIKeyLFTDCCRJVPQEBR-UHFFFAOYSA-N
XLogP-0.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate
CID 124508484
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate
CID 103430283
methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate
CID 112732527
4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 110465779
methyl (3S)-1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-3-carboxylate
CID 79037659
methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate
CID 78919120
methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate
CID 78919382
3-O-methyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,3-dicarboxylate
CID 78924639
2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]oxyacetic acid
CID 113498394

Frequently Asked Questions

What is the IUPAC name of methyl 1-carbamoylpiperidine-3-carboxylate?
The IUPAC name of methyl 1-carbamoylpiperidine-3-carboxylate (CID 66776661) is methyl 1-carbamoylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 1-carbamoylpiperidine-3-carboxylate?
The canonical SMILES for methyl 1-carbamoylpiperidine-3-carboxylate is COC(=O)C1CCCN(C(N)=O)C1.
What is the InChIKey of methyl 1-carbamoylpiperidine-3-carboxylate?
The InChIKey is LFTDCCRJVPQEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-13-7(11)6-3-2-4-10(5-6)8(9)12/h6H,2-5H2,1H3,(H2,9,12).
What are the key properties of methyl 1-carbamoylpiperidine-3-carboxylate?
methyl 1-carbamoylpiperidine-3-carboxylate has a molecular weight of 186.21 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-carbamoylpiperidine-3-carboxylate is sourced from PubChem (CID 66776661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).