1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide

C23H31N2O2+ — CID 6964251

IUPAC1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
SMILESCCOc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1
InChIInChI=1S/C23H30N2O2/c1-3-27-22-7-5-4-6-21(22)17-25-14-12-20(13-15-25)23(26)24-16-19-10-8-18(2)9-11-19/h4-11,20H,3,12-17H2,1-2H3,(H,24,26)/p+1
InChIKeyDMIPUQUSJHSCEN-UHFFFAOYSA-O
MW367.51 g/mol
LogP2.51
Rot. Bonds7

About 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide

1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide (PubChem CID 6964251) has the molecular formula C23H31N2O2+ and a molecular weight of 367.51 g/mol. Its IUPAC name is 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
PubChem CID6964251
Molecular FormulaC23H31N2O2+
Molecular Weight367.51 g/mol
Exact Mass367.24
IUPAC Name1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
SMILESCCOc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1
InChIInChI=1S/C23H30N2O2/c1-3-27-22-7-5-4-6-21(22)17-25-14-12-20(13-15-25)23(26)24-16-19-10-8-18(2)9-11-19/h4-11,20H,3,12-17H2,1-2H3,(H,24,26)/p+1
InChIKeyDMIPUQUSJHSCEN-UHFFFAOYSA-O
XLogP2.51
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-hydroxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7324136
1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1080800
1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 6966365
1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 163328645
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7324125
1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate
CID 7048381
N-[(4-methylphenyl)methyl]-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 6966288
1-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1096579
N-[(2-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775726
N-[(2-ethoxyphenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585915
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
1-[2-(2-ethylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 112971654

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide (CID 6964251) is 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide is CCOc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1.
What is the InChIKey of 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide?
The InChIKey is DMIPUQUSJHSCEN-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H30N2O2/c1-3-27-22-7-5-4-6-21(22)17-25-14-12-20(13-15-25)23(26)24-16-19-10-8-18(2)9-11-19/h4-11,20H,3,12-17H2,1-2H3,(H,24,26)/p+1.
What are the key properties of 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide?
1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide has a molecular weight of 367.51 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 6964251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).