methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate

C16H21NO4 — CID 115280090

IUPACmethyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate
SMILESCOCc1ccc(C(=O)N2CCCCC2C(=O)OC)cc1
InChIInChI=1S/C16H21NO4/c1-20-11-12-6-8-13(9-7-12)15(18)17-10-4-3-5-14(17)16(19)21-2/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyXZQXWMJXTNRRMD-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.00
Rot. Bonds4

About methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate

methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate (PubChem CID 115280090) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate
PubChem CID115280090
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate
SMILESCOCc1ccc(C(=O)N2CCCCC2C(=O)OC)cc1
InChIInChI=1S/C16H21NO4/c1-20-11-12-6-8-13(9-7-12)15(18)17-10-4-3-5-14(17)16(19)21-2/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyXZQXWMJXTNRRMD-UHFFFAOYSA-N
XLogP2.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
CID 115535703
[1-[4-(methoxymethyl)benzoyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 136522845
methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate
CID 25465302
methyl (2S)-1-(4-nitrobenzoyl)piperidine-2-carboxylate
CID 2712348
[2-(1-aminoethyl)piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119436994
methyl 1-[4-(3-hydroxyprop-1-ynyl)benzoyl]pyrrolidine-2-carboxylate
CID 60816559
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
CID 103957429
methyl (2S)-1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]pyrrolidine-2-carboxylate
CID 124829290
methyl (2S)-1-[4-(1,3-thiazol-4-yl)benzoyl]piperidine-2-carboxylate
CID 96999118
methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 60604837

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate (CID 115280090) is methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate is COCc1ccc(C(=O)N2CCCCC2C(=O)OC)cc1.
What is the InChIKey of methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate?
The InChIKey is XZQXWMJXTNRRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-20-11-12-6-8-13(9-7-12)15(18)17-10-4-3-5-14(17)16(19)21-2/h6-9,14H,3-5,10-11H2,1-2H3.
What are the key properties of methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate?
methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate is sourced from PubChem (CID 115280090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).