N-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide

C28H39N2O2+ — CID 6961826

IUPACN-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide
SMILESCCOc1ccc(CN(C(=O)C2CCCCC2)C2CC[NH+](Cc3ccccc3)CC2)cc1
InChIInChI=1S/C28H38N2O2/c1-2-32-27-15-13-24(14-16-27)22-30(28(31)25-11-7-4-8-12-25)26-17-19-29(20-18-26)21-23-9-5-3-6-10-23/h3,5-6,9-10,13-16,25-26H,2,4,7-8,11-12,17-22H2,1H3/p+1
InChIKeyAVESUUXVIOETQU-UHFFFAOYSA-O
MW435.63 g/mol
LogP4.24
Rot. Bonds8

About N-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide

N-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide (PubChem CID 6961826) has the molecular formula C28H39N2O2+ and a molecular weight of 435.63 g/mol. Its IUPAC name is N-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide
PubChem CID6961826
Molecular FormulaC28H39N2O2+
Molecular Weight435.63 g/mol
Exact Mass435.30
IUPAC NameN-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide
SMILESCCOc1ccc(CN(C(=O)C2CCCCC2)C2CC[NH+](Cc3ccccc3)CC2)cc1
InChIInChI=1S/C28H38N2O2/c1-2-32-27-15-13-24(14-16-27)22-30(28(31)25-11-7-4-8-12-25)26-17-19-29(20-18-26)21-23-9-5-3-6-10-23/h3,5-6,9-10,13-16,25-26H,2,4,7-8,11-12,17-22H2,1H3/p+1
InChIKeyAVESUUXVIOETQU-UHFFFAOYSA-O
XLogP4.24
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.63
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-methylazanium
CID 4124603
1-cycloheptyl-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium
CID 4745774
N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide
CID 42378699
N-benzyl-N-ethyl-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7324338
N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7279394
3,4-bis[cyclopentyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid
CID 19069170
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
2-(4-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8545376
N-butyl-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7279485
N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633091
ethyl 1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-carboxylate
CID 6940146
(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone
CID 6963042

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide (CID 6961826) is N-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide is CCOc1ccc(CN(C(=O)C2CCCCC2)C2CC[NH+](Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide?
The InChIKey is AVESUUXVIOETQU-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H38N2O2/c1-2-32-27-15-13-24(14-16-27)22-30(28(31)25-11-7-4-8-12-25)26-17-19-29(20-18-26)21-23-9-5-3-6-10-23/h3,5-6,9-10,13-16,25-26H,2,4,7-8,11-12,17-22H2,1H3/p+1.
What are the key properties of N-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide?
N-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide has a molecular weight of 435.63 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 6961826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).