N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride

C19H29ClN2O2 — CID 120888205

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)C2(c3cccc(C)c3)CC2)CCNCC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-15-4-3-5-16(12-15)19(6-7-19)17(22)21-13-18(14-23-2)8-10-20-11-9-18;/h3-5,12,20H,6-11,13-14H2,1-2H3,(H,21,22);1H
InChIKeyUPCQIGJVHUQPGX-UHFFFAOYSA-N
MW352.91 g/mol
LogP2.58
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 120888205) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID120888205
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)C2(c3cccc(C)c3)CC2)CCNCC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-15-4-3-5-16(12-15)19(6-7-19)17(22)21-13-18(14-23-2)8-10-20-11-9-18;/h3-5,12,20H,6-11,13-14H2,1-2H3,(H,21,22);1H
InChIKeyUPCQIGJVHUQPGX-UHFFFAOYSA-N
XLogP2.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 120890775
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 120891099
1-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 120890611
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120890622
1-(3-methoxy-4-methylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide
CID 120890717
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 120888880
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 120887824
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 120890713
1-(3-methylphenyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]cyclopropane-1-carboxamide
CID 138011807
4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119770587
4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
CID 120890135
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 120890674

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride (CID 120888205) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride is COCC1(CNC(=O)C2(c3cccc(C)c3)CC2)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is UPCQIGJVHUQPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-15-4-3-5-16(12-15)19(6-7-19)17(22)21-13-18(14-23-2)8-10-20-11-9-18;/h3-5,12,20H,6-11,13-14H2,1-2H3,(H,21,22);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120888205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).