(2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate

C21H21Cl2NO3 — CID 8526973

IUPAC(2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCC(=O)N1CCC(C(=O)OCc2c(Cl)cccc2Cl)(c2ccccc2)CC1
InChIInChI=1S/C21H21Cl2NO3/c1-15(25)24-12-10-21(11-13-24,16-6-3-2-4-7-16)20(26)27-14-17-18(22)8-5-9-19(17)23/h2-9H,10-14H2,1H3
InChIKeySKJVYROVOQSLAM-UHFFFAOYSA-N
MW406.31 g/mol
LogP4.62
Rot. Bonds4

About (2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate

(2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate (PubChem CID 8526973) has the molecular formula C21H21Cl2NO3 and a molecular weight of 406.31 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
PubChem CID8526973
Molecular FormulaC21H21Cl2NO3
Molecular Weight406.31 g/mol
Exact Mass405.09
IUPAC Name(2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCC(=O)N1CCC(C(=O)OCc2c(Cl)cccc2Cl)(c2ccccc2)CC1
InChIInChI=1S/C21H21Cl2NO3/c1-15(25)24-12-10-21(11-13-24,16-6-3-2-4-7-16)20(26)27-14-17-18(22)8-5-9-19(17)23/h2-9H,10-14H2,1H3
InChIKeySKJVYROVOQSLAM-UHFFFAOYSA-N
XLogP4.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 35990301
naphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526911
[2-(3,4-dichlorophenyl)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 42983074
(3-methoxycarbonylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8527045
2-(2,6-dimethylphenoxy)ethyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 55326909
(3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 37143786
[(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 42976592
[2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 35990278
(7-hydroxy-2-oxochromen-4-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526949
[2-(2-methylpropylamino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526930
[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 9455496
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526904

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
The IUPAC name of (2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate (CID 8526973) is (2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate is CC(=O)N1CCC(C(=O)OCc2c(Cl)cccc2Cl)(c2ccccc2)CC1.
What is the InChIKey of (2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
The InChIKey is SKJVYROVOQSLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2NO3/c1-15(25)24-12-10-21(11-13-24,16-6-3-2-4-7-16)20(26)27-14-17-18(22)8-5-9-19(17)23/h2-9H,10-14H2,1H3.
What are the key properties of (2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
(2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate has a molecular weight of 406.31 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 8526973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).