4-[benzyl(ethyl)amino]-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-4-carboxamide

C26H37N3O — CID 70380263

IUPAC4-[benzyl(ethyl)amino]-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C1(C(=O)Nc2c(C)cccc2C)CCN(C(C)C)CC1
InChIInChI=1S/C26H37N3O/c1-6-29(19-23-13-8-7-9-14-23)26(15-17-28(18-16-26)20(2)3)25(30)27-24-21(4)11-10-12-22(24)5/h7-14,20H,6,15-19H2,1-5H3,(H,27,30)
InChIKeyXYPYFUSISVUNJL-UHFFFAOYSA-N
MW407.60 g/mol
LogP5.01
Rot. Bonds7

About 4-[benzyl(ethyl)amino]-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-4-carboxamide

4-[benzyl(ethyl)amino]-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 70380263) has the molecular formula C26H37N3O and a molecular weight of 407.60 g/mol. Its IUPAC name is 4-[benzyl(ethyl)amino]-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[benzyl(ethyl)amino]-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID70380263
Molecular FormulaC26H37N3O
Molecular Weight407.60 g/mol
Exact Mass407.29
IUPAC Name4-[benzyl(ethyl)amino]-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C1(C(=O)Nc2c(C)cccc2C)CCN(C(C)C)CC1
InChIInChI=1S/C26H37N3O/c1-6-29(19-23-13-8-7-9-14-23)26(15-17-28(18-16-26)20(2)3)25(30)27-24-21(4)11-10-12-22(24)5/h7-14,20H,6,15-19H2,1-5H3,(H,27,30)
InChIKeyXYPYFUSISVUNJL-UHFFFAOYSA-N
XLogP5.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[acetyl(benzyl)amino]-4-[(2,6-dimethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 70380170
1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 70380293
1-[3,3-bis(benzylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 88621114
ethyl 2-[[1-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]cyclopropanecarbonyl]amino]-3-methylbenzoate
CID 155115267
1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 70380055
1-benzyl-3-(2,6-dimethylphenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711188
N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide
CID 139362651
4-ethyl-N-phenyl-1-propan-2-ylpiperidine-4-carboxamide
CID 155455844
benzyl 4-[(2-chloro-6-methylphenyl)carbamoyl]-4-(dimethylamino)piperidine-1-carboxylate
CID 70380131
4-[(4-chlorophenyl)methyl-(3-fluorobenzoyl)amino]-N-phenyl-1-propan-2-ylpiperidine-4-carboxamide
CID 3282647
N-(2,6-dimethylphenyl)-3-methyl-2-oxo-8-propan-2-yl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 46335835
N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide
CID 108523708

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)amino]-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 4-[benzyl(ethyl)amino]-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-4-carboxamide (CID 70380263) is 4-[benzyl(ethyl)amino]-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 4-[benzyl(ethyl)amino]-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 4-[benzyl(ethyl)amino]-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-4-carboxamide is CCN(Cc1ccccc1)C1(C(=O)Nc2c(C)cccc2C)CCN(C(C)C)CC1.
What is the InChIKey of 4-[benzyl(ethyl)amino]-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is XYPYFUSISVUNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O/c1-6-29(19-23-13-8-7-9-14-23)26(15-17-28(18-16-26)20(2)3)25(30)27-24-21(4)11-10-12-22(24)5/h7-14,20H,6,15-19H2,1-5H3,(H,27,30).
What are the key properties of 4-[benzyl(ethyl)amino]-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-4-carboxamide?
4-[benzyl(ethyl)amino]-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 407.60 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)amino]-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 70380263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).