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

C17H24Cl2N4O2 — CID 119860353

IUPACN-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc2nc(C3CCCO3)[nH]c2c1)C1CCNCC1
InChIInChI=1S/C17H22N4O2.2ClH/c22-17(11-5-7-18-8-6-11)19-12-3-4-13-14(10-12)21-16(20-13)15-2-1-9-23-15;;/h3-4,10-11,15,18H,1-2,5-9H2,(H,19,22)(H,20,21);2*1H
InChIKeyRPTOCZJVYPRZRY-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.20
Rot. Bonds3

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

N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119860353) has the molecular formula C17H24Cl2N4O2 and a molecular weight of 387.31 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119860353
Molecular FormulaC17H24Cl2N4O2
Molecular Weight387.31 g/mol
Exact Mass386.13
IUPAC NameN-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc2nc(C3CCCO3)[nH]c2c1)C1CCNCC1
InChIInChI=1S/C17H22N4O2.2ClH/c22-17(11-5-7-18-8-6-11)19-12-3-4-13-14(10-12)21-16(20-13)15-2-1-9-23-15;;/h3-4,10-11,15,18H,1-2,5-9H2,(H,19,22)(H,20,21);2*1H
InChIKeyRPTOCZJVYPRZRY-UHFFFAOYSA-N
XLogP3.20
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]morpholine-3-carboxamide;dihydrochloride
CID 120939827
4-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
CID 119860407
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119860361
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 119860393
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119860413
2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride
CID 120798817
(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]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 47825629
2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119860392
2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 119860398
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide
CID 71936234
2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 120669855

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride (CID 119860353) is N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc2nc(C3CCCO3)[nH]c2c1)C1CCNCC1.
What is the InChIKey of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is RPTOCZJVYPRZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.2ClH/c22-17(11-5-7-18-8-6-11)19-12-3-4-13-14(10-12)21-16(20-13)15-2-1-9-23-15;;/h3-4,10-11,15,18H,1-2,5-9H2,(H,19,22)(H,20,21);2*1H.
What are the key properties of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride?
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 387.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119860353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).