1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide

C24H30N2O3 — CID 42868375

IUPAC1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CCC(c2cccc(C)c2)N(C(C)=O)C1
InChIInChI=1S/C24H30N2O3/c1-17-7-6-9-20(15-17)22-12-11-21(16-26(22)18(2)27)24(28)25-14-13-19-8-4-5-10-23(19)29-3/h4-10,15,21-22H,11-14,16H2,1-3H3,(H,25,28)
InChIKeyOZJUQDRKPYDWSR-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.66
Rot. Bonds6

About 1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide

1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 42868375) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID42868375
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CCC(c2cccc(C)c2)N(C(C)=O)C1
InChIInChI=1S/C24H30N2O3/c1-17-7-6-9-20(15-17)22-12-11-21(16-26(22)18(2)27)24(28)25-14-13-19-8-4-5-10-23(19)29-3/h4-10,15,21-22H,11-14,16H2,1-3H3,(H,25,28)
InChIKeyOZJUQDRKPYDWSR-UHFFFAOYSA-N
XLogP3.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
CID 92998904
1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 42870408
1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46069460
(3R,6S)-1-acetyl-6-(cyclopentylamino)-N-[2-(2-methoxyphenyl)ethyl]azepane-3-carboxamide
CID 171386219
1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 46041560
(3R,6S)-6-(dimethylamino)-N-[2-(2-methoxyphenyl)ethyl]-1-methylazepane-3-carboxamide
CID 165427863
(3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
CID 92998980
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46071992
(3R,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328136
(3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328137
N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 39930096

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide (CID 42868375) is 1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide is COc1ccccc1CCNC(=O)C1CCC(c2cccc(C)c2)N(C(C)=O)C1.
What is the InChIKey of 1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is OZJUQDRKPYDWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17-7-6-9-20(15-17)22-12-11-21(16-26(22)18(2)27)24(28)25-14-13-19-8-4-5-10-23(19)29-3/h4-10,15,21-22H,11-14,16H2,1-3H3,(H,25,28).
What are the key properties of 1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide?
1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 42868375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).