4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride

C22H35ClN2O2 — CID 120629984

IUPAC4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC2(c3ccccc3C)CCCCC2)CCNCC1.Cl
InChIInChI=1S/C22H34N2O2.ClH/c1-18-8-4-5-9-19(18)21(10-6-3-7-11-21)16-24-20(25)22(17-26-2)12-14-23-15-13-22;/h4-5,8-9,23H,3,6-7,10-17H2,1-2H3,(H,24,25);1H
InChIKeyLTAVIBGPYWWUMB-UHFFFAOYSA-N
MW394.99 g/mol
LogP3.75
Rot. Bonds6

About 4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride

4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120629984) has the molecular formula C22H35ClN2O2 and a molecular weight of 394.99 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120629984
Molecular FormulaC22H35ClN2O2
Molecular Weight394.99 g/mol
Exact Mass394.24
IUPAC Name4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC2(c3ccccc3C)CCCCC2)CCNCC1.Cl
InChIInChI=1S/C22H34N2O2.ClH/c1-18-8-4-5-9-19(18)21(10-6-3-7-11-21)16-24-20(25)22(17-26-2)12-14-23-15-13-22;/h4-5,8-9,23H,3,6-7,10-17H2,1-2H3,(H,24,25);1H
InChIKeyLTAVIBGPYWWUMB-UHFFFAOYSA-N
XLogP3.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.99
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 120887824
4-(methoxymethyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618108
4-(methoxymethyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120623338
1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
CID 119315839
N-(2-anilino-2-oxoethyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624225
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619191
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
1-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 110922755
N-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120633424
4-(methoxymethyl)-N-[(1-propoxycyclohexyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120638673
N-(3-anilino-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120632986
N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120623806

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride (CID 120629984) is 4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCC2(c3ccccc3C)CCCCC2)CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is LTAVIBGPYWWUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2.ClH/c1-18-8-4-5-9-19(18)21(10-6-3-7-11-21)16-24-20(25)22(17-26-2)12-14-23-15-13-22;/h4-5,8-9,23H,3,6-7,10-17H2,1-2H3,(H,24,25);1H.
What are the key properties of 4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 394.99 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 4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120629984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).