4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride

C23H31ClN2O4 — CID 120618412

IUPAC4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)CCNCC1.Cl
InChIInChI=1S/C23H30N2O4.ClH/c1-27-17-23(10-12-24-13-11-23)22(26)25-15-19-8-9-20(21(14-19)28-2)29-16-18-6-4-3-5-7-18;/h3-9,14,24H,10-13,15-17H2,1-2H3,(H,25,26);1H
InChIKeyAMPGJVTYKNSCBR-UHFFFAOYSA-N
MW434.96 g/mol
LogP3.33
Rot. Bonds9

About 4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride

4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120618412) has the molecular formula C23H31ClN2O4 and a molecular weight of 434.96 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120618412
Molecular FormulaC23H31ClN2O4
Molecular Weight434.96 g/mol
Exact Mass434.20
IUPAC Name4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)CCNCC1.Cl
InChIInChI=1S/C23H30N2O4.ClH/c1-27-17-23(10-12-24-13-11-23)22(26)25-15-19-8-9-20(21(14-19)28-2)29-16-18-6-4-3-5-7-18;/h3-9,14,24H,10-13,15-17H2,1-2H3,(H,25,26);1H
InChIKeyAMPGJVTYKNSCBR-UHFFFAOYSA-N
XLogP3.33
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.96
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621722
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 33042340
4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 120618507
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120641219
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630974
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
N-[(3-ethoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621206
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120617133
2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride
CID 120983886

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 120618412) is 4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is AMPGJVTYKNSCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4.ClH/c1-27-17-23(10-12-24-13-11-23)22(26)25-15-19-8-9-20(21(14-19)28-2)29-16-18-6-4-3-5-7-18;/h3-9,14,24H,10-13,15-17H2,1-2H3,(H,25,26);1H.
What are the key properties of 4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 434.96 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120618412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).