(3-methoxycarbonylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate

C23H25NO5 — CID 8527045

IUPAC(3-methoxycarbonylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCOC(=O)c1cccc(COC(=O)C2(c3ccccc3)CCN(C(C)=O)CC2)c1
InChIInChI=1S/C23H25NO5/c1-17(25)24-13-11-23(12-14-24,20-9-4-3-5-10-20)22(27)29-16-18-7-6-8-19(15-18)21(26)28-2/h3-10,15H,11-14,16H2,1-2H3
InChIKeyHCIKPPITJQTIQK-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.10
Rot. Bonds5

About (3-methoxycarbonylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate

(3-methoxycarbonylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate (PubChem CID 8527045) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is (3-methoxycarbonylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(3-methoxycarbonylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
PubChem CID8527045
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name(3-methoxycarbonylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCOC(=O)c1cccc(COC(=O)C2(c3ccccc3)CCN(C(C)=O)CC2)c1
InChIInChI=1S/C23H25NO5/c1-17(25)24-13-11-23(12-14-24,20-9-4-3-5-10-20)22(27)29-16-18-7-6-8-19(15-18)21(26)28-2/h3-10,15H,11-14,16H2,1-2H3
InChIKeyHCIKPPITJQTIQK-UHFFFAOYSA-N
XLogP3.10
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]benzoate
CID 86960299
(2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526973
naphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526911
(4-methoxycarbonylphenyl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate
CID 42988286
(3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 37143786
[2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 35990278
2-(2,6-dimethylphenoxy)ethyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 55326909
[2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 35990301
[2-(3,4-dichlorophenyl)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 42983074
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8527029
methyl 3-(2-phenylmethoxycarbonylprop-2-enyl)benzoate
CID 11045115
methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate
CID 56977637

Frequently Asked Questions

What is the IUPAC name of (3-methoxycarbonylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
The IUPAC name of (3-methoxycarbonylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate (CID 8527045) is (3-methoxycarbonylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for (3-methoxycarbonylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for (3-methoxycarbonylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate is COC(=O)c1cccc(COC(=O)C2(c3ccccc3)CCN(C(C)=O)CC2)c1.
What is the InChIKey of (3-methoxycarbonylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
The InChIKey is HCIKPPITJQTIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-17(25)24-13-11-23(12-14-24,20-9-4-3-5-10-20)22(27)29-16-18-7-6-8-19(15-18)21(26)28-2/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of (3-methoxycarbonylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
(3-methoxycarbonylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycarbonylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 8527045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).