1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide

C24H30N2O3 — CID 113007639

IUPAC1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1CC(=O)N1CCC(C(=O)Nc2ccccc2OC(C)C)CC1
InChIInChI=1S/C24H30N2O3/c1-17(2)29-22-11-7-6-10-21(22)25-24(28)19-12-14-26(15-13-19)23(27)16-20-9-5-4-8-18(20)3/h4-11,17,19H,12-16H2,1-3H3,(H,25,28)
InChIKeySWDIJHJELGQZQR-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.20
Rot. Bonds6

About 1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide

1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 113007639) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
PubChem CID113007639
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1CC(=O)N1CCC(C(=O)Nc2ccccc2OC(C)C)CC1
InChIInChI=1S/C24H30N2O3/c1-17(2)29-22-11-7-6-10-21(22)25-24(28)19-12-14-26(15-13-19)23(27)16-20-9-5-4-8-18(20)3/h4-11,17,19H,12-16H2,1-3H3,(H,25,28)
InChIKeySWDIJHJELGQZQR-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007640
N-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007259
N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005543
N-(2-methoxyphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 38645839
3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
CID 108942808
N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 55653463
N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 39499134
N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007533
1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007631
3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942056
N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119284707
4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150874

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide (CID 113007639) is 1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide is Cc1ccccc1CC(=O)N1CCC(C(=O)Nc2ccccc2OC(C)C)CC1.
What is the InChIKey of 1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is SWDIJHJELGQZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17(2)29-22-11-7-6-10-21(22)25-24(28)19-12-14-26(15-13-19)23(27)16-20-9-5-4-8-18(20)3/h4-11,17,19H,12-16H2,1-3H3,(H,25,28).
What are the key properties of 1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide?
1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).