N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride

C17H26Cl2N4O2 — CID 120640361

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NCCc2nc3ccccc3[nH]2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H24N4O2.2ClH/c1-23-12-17(7-10-18-11-8-17)16(22)19-9-6-15-20-13-4-2-3-5-14(13)21-15;;/h2-5,18H,6-12H2,1H3,(H,19,22)(H,20,21);2*1H
InChIKeyIQMHITBODBDWJE-UHFFFAOYSA-N
MW389.33 g/mol
LogP2.08
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride

N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 120640361) has the molecular formula C17H26Cl2N4O2 and a molecular weight of 389.33 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
PubChem CID120640361
Molecular FormulaC17H26Cl2N4O2
Molecular Weight389.33 g/mol
Exact Mass388.14
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NCCc2nc3ccccc3[nH]2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H24N4O2.2ClH/c1-23-12-17(7-10-18-11-8-17)16(22)19-9-6-15-20-13-4-2-3-5-14(13)21-15;;/h2-5,18H,6-12H2,1H3,(H,19,22)(H,20,21);2*1H
InChIKeyIQMHITBODBDWJE-UHFFFAOYSA-N
XLogP2.08
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(methoxymethyl)piperidine-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-(methoxymethyl)-N-(5-phenylpentyl)piperidine-4-carboxamide;hydrochloride
CID 120630674
4-(methoxymethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120633664
4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617692
N-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120633424
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120625301
1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119838245
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 47880329
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethylsulfanyl)acetamide
CID 39489394
N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120618096

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride (CID 120640361) is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride is COCC1(C(=O)NCCc2nc3ccccc3[nH]2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is IQMHITBODBDWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.2ClH/c1-23-12-17(7-10-18-11-8-17)16(22)19-9-6-15-20-13-4-2-3-5-14(13)21-15;;/h2-5,18H,6-12H2,1H3,(H,19,22)(H,20,21);2*1H.
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 389.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120640361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).