N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

C22H28Cl2N4O2 — CID 119862872

IUPACN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C22H26N4O2.2ClH/c1-28-22(9-11-23-12-10-22)21(27)24-14-17-5-4-6-18(13-17)15-26-16-25-19-7-2-3-8-20(19)26;;/h2-8,13,16,23H,9-12,14-15H2,1H3,(H,24,27);2*1H
InChIKeyPWEYOPSXIYSMOW-UHFFFAOYSA-N
MW451.40 g/mol
LogP3.31
Rot. Bonds6

About N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (PubChem CID 119862872) has the molecular formula C22H28Cl2N4O2 and a molecular weight of 451.40 g/mol. Its IUPAC name is N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
PubChem CID119862872
Molecular FormulaC22H28Cl2N4O2
Molecular Weight451.40 g/mol
Exact Mass450.16
IUPAC NameN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C22H26N4O2.2ClH/c1-28-22(9-11-23-12-10-22)21(27)24-14-17-5-4-6-18(13-17)15-26-16-25-19-7-2-3-8-20(19)26;;/h2-8,13,16,23H,9-12,14-15H2,1H3,(H,24,27);2*1H
InChIKeyPWEYOPSXIYSMOW-UHFFFAOYSA-N
XLogP3.31
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride 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

4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119847386
4-methoxy-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119678226
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
CID 110911543
methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate
CID 119787129
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014574
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119845776
4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119725285
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide
CID 99777967
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(4-hydroxy-4-phenylbutan-2-yl)urea
CID 166218064
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941556
4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119862887
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(oxolan-3-yl)urea
CID 126772299

Frequently Asked Questions

What is the IUPAC name of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (CID 119862872) is N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is COC1(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The InChIKey is PWEYOPSXIYSMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.2ClH/c1-28-22(9-11-23-12-10-22)21(27)24-14-17-5-4-6-18(13-17)15-26-16-25-19-7-2-3-8-20(19)26;;/h2-8,13,16,23H,9-12,14-15H2,1H3,(H,24,27);2*1H.
What are the key properties of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride has a molecular weight of 451.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119862872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).