methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate

C15H19NO4 — CID 110394724

IUPACmethyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C15H19NO4/c1-19-13-7-5-11(6-8-13)14(17)12-4-3-9-16(10-12)15(18)20-2/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyKLXNLPKRQHCIMM-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.36
Rot. Bonds3

About methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate

methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate (PubChem CID 110394724) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate
PubChem CID110394724
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C15H19NO4/c1-19-13-7-5-11(6-8-13)14(17)12-4-3-9-16(10-12)15(18)20-2/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyKLXNLPKRQHCIMM-UHFFFAOYSA-N
XLogP2.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
CID 110394678
3-(4-methoxybenzoyl)-N-phenylpiperidine-1-carboxamide
CID 110394709
(4-methoxyphenyl)-[1-(oxolane-2-carbonyl)piperidin-3-yl]methanone
CID 110394676
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690
N-(2,4-dimethoxyphenyl)-3-(6-methoxynaphthalene-2-carbonyl)piperidine-1-carboxamide
CID 45211600
(4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 95791894
[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone
CID 110394605
(4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone
CID 51492761
tert-butyl 3-(4-methylbenzoyl)piperidine-1-carboxylate
CID 122200685
methyl 3-acetylpiperidine-1-carboxylate
CID 59841149
methyl (3R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]piperidine-1-carboxylate
CID 97231311
(3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 25385725

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate (CID 110394724) is methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate is COC(=O)N1CCCC(C(=O)c2ccc(OC)cc2)C1.
What is the InChIKey of methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate?
The InChIKey is KLXNLPKRQHCIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-13-7-5-11(6-8-13)14(17)12-4-3-9-16(10-12)15(18)20-2/h5-8,12H,3-4,9-10H2,1-2H3.
What are the key properties of methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate?
methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate is sourced from PubChem (CID 110394724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).