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

C23H31N3O — CID 123439890

IUPACN-(4-ethylphenyl)-4-(methylamino)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2(NC)CCN(Cc3ccccc3C)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-4-19-9-11-21(12-10-19)25-22(27)23(24-3)13-15-26(16-14-23)17-20-8-6-5-7-18(20)2/h5-12,24H,4,13-17H2,1-3H3,(H,25,27)
InChIKeyCZPNDBVINIZBQL-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.75
Rot. Bonds6

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

N-(4-ethylphenyl)-4-(methylamino)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 123439890) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(methylamino)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(methylamino)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID123439890
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-(4-ethylphenyl)-4-(methylamino)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2(NC)CCN(Cc3ccccc3C)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-4-19-9-11-21(12-10-19)25-22(27)23(24-3)13-15-26(16-14-23)17-20-8-6-5-7-18(20)2/h5-12,24H,4,13-17H2,1-3H3,(H,25,27)
InChIKeyCZPNDBVINIZBQL-UHFFFAOYSA-N
XLogP3.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 58129318
N-(4-tert-butylphenyl)-4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 50914983
1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 90483325
4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871260
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
4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155873984
ethyl 4-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzoate
CID 9257552
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
4-N-(4-ethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046822
1-(4-ethylphenyl)-3-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea
CID 1057995
1-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-3-phenylurea
CID 158434164

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(methylamino)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-(methylamino)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide (CID 123439890) is N-(4-ethylphenyl)-4-(methylamino)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(methylamino)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(methylamino)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide is CCc1ccc(NC(=O)C2(NC)CCN(Cc3ccccc3C)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(methylamino)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is CZPNDBVINIZBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-4-19-9-11-21(12-10-19)25-22(27)23(24-3)13-15-26(16-14-23)17-20-8-6-5-7-18(20)2/h5-12,24H,4,13-17H2,1-3H3,(H,25,27).
What are the key properties of N-(4-ethylphenyl)-4-(methylamino)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
N-(4-ethylphenyl)-4-(methylamino)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(methylamino)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 123439890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).