4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride

C17H27ClN2O3 — CID 120621722

IUPAC4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCc1ccc(CNC(=O)C2(COC)CCNCC2)cc1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-21-12-15-5-3-14(4-6-15)11-19-16(20)17(13-22-2)7-9-18-10-8-17;/h3-6,18H,7-13H2,1-2H3,(H,19,20);1H
InChIKeyIHSCSPRYVKTLCH-UHFFFAOYSA-N
MW342.87 g/mol
LogP1.89
Rot. Bonds7

About 4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride

4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120621722) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120621722
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCc1ccc(CNC(=O)C2(COC)CCNCC2)cc1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-21-12-15-5-3-14(4-6-15)11-19-16(20)17(13-22-2)7-9-18-10-8-17;/h3-6,18H,7-13H2,1-2H3,(H,19,20);1H
InChIKeyIHSCSPRYVKTLCH-UHFFFAOYSA-N
XLogP1.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621041
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120623903
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120641219
4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618412
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
N-(furan-2-ylmethyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120647952
4-(methoxymethyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618108
4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 120618507
4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120625185
N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620352
4-(methoxymethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 120617087

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride (CID 120621722) is 4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride is COCc1ccc(CNC(=O)C2(COC)CCNCC2)cc1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is IHSCSPRYVKTLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-21-12-15-5-3-14(4-6-15)11-19-16(20)17(13-22-2)7-9-18-10-8-17;/h3-6,18H,7-13H2,1-2H3,(H,19,20);1H.
What are the key properties of 4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120621722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).