phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate

C20H21NO4 — CID 110394064

IUPACphenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
SMILESCOc1ccc(C(=O)C2CCN(C(=O)Oc3ccccc3)CC2)cc1
InChIInChI=1S/C20H21NO4/c1-24-17-9-7-15(8-10-17)19(22)16-11-13-21(14-12-16)20(23)25-18-5-3-2-4-6-18/h2-10,16H,11-14H2,1H3
InChIKeyLEQVCIRLHIJGOL-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.79
Rot. Bonds4

About phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate

phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate (PubChem CID 110394064) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
PubChem CID110394064
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namephenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
SMILESCOc1ccc(C(=O)C2CCN(C(=O)Oc3ccccc3)CC2)cc1
InChIInChI=1S/C20H21NO4/c1-24-17-9-7-15(8-10-17)19(22)16-11-13-21(14-12-16)20(23)25-18-5-3-2-4-6-18/h2-10,16H,11-14H2,1H3
InChIKeyLEQVCIRLHIJGOL-UHFFFAOYSA-N
XLogP3.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one
CID 55909786
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 1438179
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 25473025
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
CID 25472791
phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110365696
phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 141023786
(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25474112
2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone
CID 56540565
4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
CID 3851418
phenyl 4-cyanopiperidine-1-carboxylate
CID 62077915
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate?
The IUPAC name of phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate (CID 110394064) is phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate?
The canonical SMILES for phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate is COc1ccc(C(=O)C2CCN(C(=O)Oc3ccccc3)CC2)cc1.
What is the InChIKey of phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate?
The InChIKey is LEQVCIRLHIJGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-24-17-9-7-15(8-10-17)19(22)16-11-13-21(14-12-16)20(23)25-18-5-3-2-4-6-18/h2-10,16H,11-14H2,1H3.
What are the key properties of phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate?
phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate has a molecular weight of 339.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate is sourced from PubChem (CID 110394064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).