1-[2-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide

C24H30N2O3 — CID 113007640

IUPAC1-[2-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(C(=O)Nc3ccccc3OC(C)C)CC2)c1
InChIInChI=1S/C24H30N2O3/c1-17(2)29-22-10-5-4-9-21(22)25-24(28)20-11-13-26(14-12-20)23(27)16-19-8-6-7-18(3)15-19/h4-10,15,17,20H,11-14,16H2,1-3H3,(H,25,28)
InChIKeyPKHVWWDHVVGDQT-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.20
Rot. Bonds6

About 1-[2-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide

1-[2-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 113007640) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
PubChem CID113007640
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-[2-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(C(=O)Nc3ccccc3OC(C)C)CC2)c1
InChIInChI=1S/C24H30N2O3/c1-17(2)29-22-10-5-4-9-21(22)25-24(28)20-11-13-26(14-12-20)23(27)16-19-8-6-7-18(3)15-19/h4-10,15,17,20H,11-14,16H2,1-3H3,(H,25,28)
InChIKeyPKHVWWDHVVGDQT-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-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007639
N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007035
N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008728
2-(3-methylphenyl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113098613
N-(2-methoxyphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 38645839
N-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113006994
N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119284707
1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007631
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 33344202
N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005452
N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide (CID 113007640) is 1-[2-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide is Cc1cccc(CC(=O)N2CCC(C(=O)Nc3ccccc3OC(C)C)CC2)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is PKHVWWDHVVGDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17(2)29-22-10-5-4-9-21(22)25-24(28)20-11-13-26(14-12-20)23(27)16-19-8-6-7-18(3)15-19/h4-10,15,17,20H,11-14,16H2,1-3H3,(H,25,28).
What are the key properties of 1-[2-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide?
1-[2-(3-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-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).