1-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]piperidine-3-carboxamide

C17H22N4O2 — CID 78838915

IUPAC1-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
SMILESCc1cc2ncn(CC(=O)N3CCCC(C(N)=O)C3)c2cc1C
InChIInChI=1S/C17H22N4O2/c1-11-6-14-15(7-12(11)2)21(10-19-14)9-16(22)20-5-3-4-13(8-20)17(18)23/h6-7,10,13H,3-5,8-9H2,1-2H3,(H2,18,23)
InChIKeyFMOKSQDVFMAPQJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.38
Rot. Bonds3

About 1-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]piperidine-3-carboxamide

1-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]piperidine-3-carboxamide (PubChem CID 78838915) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
PubChem CID78838915
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
SMILESCc1cc2ncn(CC(=O)N3CCCC(C(N)=O)C3)c2cc1C
InChIInChI=1S/C17H22N4O2/c1-11-6-14-15(7-12(11)2)21(10-19-14)9-16(22)20-5-3-4-13(8-20)17(18)23/h6-7,10,13H,3-5,8-9H2,1-2H3,(H2,18,23)
InChIKeyFMOKSQDVFMAPQJ-UHFFFAOYSA-N
XLogP1.38
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide
CID 39011474
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5,6-dimethylbenzimidazol-1-yl)ethanone
CID 100659586
(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94486409
1-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]piperidine-3-carboxamide
CID 42952360
1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
CID 60705262
ethyl (3S)-1-[2-(6-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylate
CID 30025892
azepan-1-yl-(5,6-dimethylbenzimidazol-1-yl)methanone
CID 2928818
1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide
CID 51075869
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492472
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanone
CID 30044181
1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153996
2-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxyethanimidamide
CID 17010606

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]piperidine-3-carboxamide (CID 78838915) is 1-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]piperidine-3-carboxamide is Cc1cc2ncn(CC(=O)N3CCCC(C(N)=O)C3)c2cc1C.
What is the InChIKey of 1-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is FMOKSQDVFMAPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-6-14-15(7-12(11)2)21(10-19-14)9-16(22)20-5-3-4-13(8-20)17(18)23/h6-7,10,13H,3-5,8-9H2,1-2H3,(H2,18,23).
What are the key properties of 1-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]piperidine-3-carboxamide?
1-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 78838915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).