4-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride

C18H26Cl2N4O3 — CID 119860407

IUPAC4-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H24N4O3.2ClH/c1-24-18(6-8-19-9-7-18)17(23)20-12-4-5-13-14(11-12)22-16(21-13)15-3-2-10-25-15;;/h4-5,11,15,19H,2-3,6-10H2,1H3,(H,20,23)(H,21,22);2*1H
InChIKeyRDBLDYIDXNPGHG-UHFFFAOYSA-N
MW417.34 g/mol
LogP2.97
Rot. Bonds4

About 4-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride

4-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119860407) has the molecular formula C18H26Cl2N4O3 and a molecular weight of 417.34 g/mol. Its IUPAC name is 4-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119860407
Molecular FormulaC18H26Cl2N4O3
Molecular Weight417.34 g/mol
Exact Mass416.14
IUPAC Name4-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H24N4O3.2ClH/c1-24-18(6-8-19-9-7-18)17(23)20-12-4-5-13-14(11-12)22-16(21-13)15-3-2-10-25-15;;/h4-5,11,15,19H,2-3,6-10H2,1H3,(H,20,23)(H,21,22);2*1H
InChIKeyRDBLDYIDXNPGHG-UHFFFAOYSA-N
XLogP2.97
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
CID 119860353
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 119860393
4-amino-3-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 120595805
(2R,3S)-2-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]morpholine-3-carboxamide;dihydrochloride
CID 120939827
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide
CID 119860394
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119860361
2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride
CID 119860409
2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 119860398
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide
CID 119854454
2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119860392
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119860413
2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 47825848

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride (CID 119860407) is 4-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride is COC1(C(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is RDBLDYIDXNPGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3.2ClH/c1-24-18(6-8-19-9-7-18)17(23)20-12-4-5-13-14(11-12)22-16(21-13)15-3-2-10-25-15;;/h4-5,11,15,19H,2-3,6-10H2,1H3,(H,20,23)(H,21,22);2*1H.
What are the key properties of 4-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride?
4-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 417.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119860407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).