1-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperidine-4-carboxamide

C17H22N4O2 — CID 110773151

IUPAC1-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperidine-4-carboxamide
SMILESCc1nc2cc(CC(=O)N3CCC(C(N)=O)CC3)ccc2n1C
InChIInChI=1S/C17H22N4O2/c1-11-19-14-9-12(3-4-15(14)20(11)2)10-16(22)21-7-5-13(6-8-21)17(18)23/h3-4,9,13H,5-8,10H2,1-2H3,(H2,18,23)
InChIKeyKFMMEBLMQOSXSB-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.15
Rot. Bonds3

About 1-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperidine-4-carboxamide

1-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperidine-4-carboxamide (PubChem CID 110773151) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperidine-4-carboxamide
PubChem CID110773151
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperidine-4-carboxamide
SMILESCc1nc2cc(CC(=O)N3CCC(C(N)=O)CC3)ccc2n1C
InChIInChI=1S/C17H22N4O2/c1-11-19-14-9-12(3-4-15(14)20(11)2)10-16(22)21-7-5-13(6-8-21)17(18)23/h3-4,9,13H,5-8,10H2,1-2H3,(H2,18,23)
InChIKeyKFMMEBLMQOSXSB-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110800386
4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110813172
2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide
CID 116843404
1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide
CID 110796185
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110773304
1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide
CID 51218966
1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide
CID 28711990
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110773124
1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide
CID 110765911
N-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110773200
2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772869

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperidine-4-carboxamide (CID 110773151) is 1-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperidine-4-carboxamide is Cc1nc2cc(CC(=O)N3CCC(C(N)=O)CC3)ccc2n1C.
What is the InChIKey of 1-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is KFMMEBLMQOSXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-19-14-9-12(3-4-15(14)20(11)2)10-16(22)21-7-5-13(6-8-21)17(18)23/h3-4,9,13H,5-8,10H2,1-2H3,(H2,18,23).
What are the key properties of 1-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperidine-4-carboxamide?
1-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 110773151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).