4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide

C22H29N3O — CID 58129318

IUPAC4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2(N)CCN(Cc3ccccc3C)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-3-18-8-10-20(11-9-18)24-21(26)22(23)12-14-25(15-13-22)16-19-7-5-4-6-17(19)2/h4-11H,3,12-16,23H2,1-2H3,(H,24,26)
InChIKeyXTXWYALTGMMZPB-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.49
Rot. Bonds5

About 4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide

4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 58129318) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID58129318
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2(N)CCN(Cc3ccccc3C)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-3-18-8-10-20(11-9-18)24-21(26)22(23)12-14-25(15-13-22)16-19-7-5-4-6-17(19)2/h4-11H,3,12-16,23H2,1-2H3,(H,24,26)
InChIKeyXTXWYALTGMMZPB-UHFFFAOYSA-N
XLogP3.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-4-(methylamino)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 123439890
N-(4-tert-butylphenyl)-4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 50914983
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 90483325
1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119901588
ethyl 4-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzoate
CID 9257552
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide
CID 55664598
4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 56880244
1-(4-ethylphenyl)-3-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea
CID 1057995
1-amino-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 65465258
4-N-(4-ethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046822
4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871260

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide (CID 58129318) is 4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide is CCc1ccc(NC(=O)C2(N)CCN(Cc3ccccc3C)CC2)cc1.
What is the InChIKey of 4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is XTXWYALTGMMZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-3-18-8-10-20(11-9-18)24-21(26)22(23)12-14-25(15-13-22)16-19-7-5-4-6-17(19)2/h4-11H,3,12-16,23H2,1-2H3,(H,24,26).
What are the key properties of 4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 58129318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).