(2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride

C16H23Cl2FN4O — CID 119883529

IUPAC(2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1c(CCNC(=O)[C@H]2CCCCN2)nc2ccc(F)cc21
InChIInChI=1S/C16H21FN4O.2ClH/c1-21-14-10-11(17)5-6-12(14)20-15(21)7-9-19-16(22)13-4-2-3-8-18-13;;/h5-6,10,13,18H,2-4,7-9H2,1H3,(H,19,22);2*1H/t13-;;/m1../s1
InChIKeySSZRWQRRSWTQCG-FFXKMJQXSA-N
MW377.29 g/mol
LogP2.36
Rot. Bonds4

About (2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride

(2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119883529) has the molecular formula C16H23Cl2FN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is (2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119883529
Molecular FormulaC16H23Cl2FN4O
Molecular Weight377.29 g/mol
Exact Mass376.12
IUPAC Name(2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1c(CCNC(=O)[C@H]2CCCCN2)nc2ccc(F)cc21
InChIInChI=1S/C16H21FN4O.2ClH/c1-21-14-10-11(17)5-6-12(14)20-15(21)7-9-19-16(22)13-4-2-3-8-18-13;;/h5-6,10,13,18H,2-4,7-9H2,1H3,(H,19,22);2*1H/t13-;;/m1../s1
InChIKeySSZRWQRRSWTQCG-FFXKMJQXSA-N
XLogP2.36
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-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

(2R,3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120941579
2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119883563
(2R,3R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-propan-2-yloxane-3-carboxamide
CID 129492650
3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119883587
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119888858
2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 56804714
3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882360
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
CID 103813344
(2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119883594
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110741853
(2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 124697386

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride (CID 119883529) is (2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride is Cl.Cl.Cn1c(CCNC(=O)[C@H]2CCCCN2)nc2ccc(F)cc21.
What is the InChIKey of (2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is SSZRWQRRSWTQCG-FFXKMJQXSA-N. The full InChI is InChI=1S/C16H21FN4O.2ClH/c1-21-14-10-11(17)5-6-12(14)20-15(21)7-9-19-16(22)13-4-2-3-8-18-13;;/h5-6,10,13,18H,2-4,7-9H2,1H3,(H,19,22);2*1H/t13-;;/m1../s1.
What are the key properties of (2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride?
(2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 377.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119883529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).