methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate

C12H22N2O3 — CID 110754077

IUPACmethyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)NCC(C)C)CC1
InChIInChI=1S/C12H22N2O3/c1-9(2)8-13-11(15)10-4-6-14(7-5-10)12(16)17-3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyGMGVJLSZEPDECI-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.24
Rot. Bonds3

About methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate

methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate (PubChem CID 110754077) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate
PubChem CID110754077
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)NCC(C)C)CC1
InChIInChI=1S/C12H22N2O3/c1-9(2)8-13-11(15)10-4-6-14(7-5-10)12(16)17-3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyGMGVJLSZEPDECI-UHFFFAOYSA-N
XLogP1.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-bis(2-methylpropyl)piperidine-4-carboxamide
CID 883892
1-acetyl-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 43392752
methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
CID 110754087
ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 169079209
1-O-tert-butyl 4-O-[1-(2-methylpropylamino)-1-oxopropan-2-yl] piperidine-1,4-dicarboxylate
CID 55422887
N-(2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 43418235
tert-butyl 4-[2-(4-methylpiperidin-1-yl)propylcarbamoyl]piperidine-1-carboxylate
CID 110620686
3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid
CID 114144299
1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 113002779
ethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 31011883

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate (CID 110754077) is methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate is COC(=O)N1CCC(C(=O)NCC(C)C)CC1.
What is the InChIKey of methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is GMGVJLSZEPDECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)8-13-11(15)10-4-6-14(7-5-10)12(16)17-3/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate?
methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 110754077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).