2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide

C15H21N5O — CID 90978289

IUPAC2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
SMILESCCN1CCCC(NC(=O)c2ccc3nc(N)[nH]c3c2)C1
InChIInChI=1S/C15H21N5O/c1-2-20-7-3-4-11(9-20)17-14(21)10-5-6-12-13(8-10)19-15(16)18-12/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,21)(H3,16,18,19)
InChIKeyJPIOVQFEJBTFCU-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.36
Rot. Bonds3

About 2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide

2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 90978289) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
PubChem CID90978289
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
SMILESCCN1CCCC(NC(=O)c2ccc3nc(N)[nH]c3c2)C1
InChIInChI=1S/C15H21N5O/c1-2-20-7-3-4-11(9-20)17-14(21)10-5-6-12-13(8-10)19-15(16)18-12/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,21)(H3,16,18,19)
InChIKeyJPIOVQFEJBTFCU-UHFFFAOYSA-N
XLogP1.36
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpiperidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765277
3-amino-4-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170156
3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide
CID 61169768
N-(1-ethylpiperidin-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61169040
N-(1-ethylpiperidin-3-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62175971
N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide
CID 95296179
N-(1-ethylpiperidin-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712140
N-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide
CID 22933593
N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide
CID 113323521
3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide
CID 113460717
6-(ethylamino)-N-(1-ethylpiperidin-3-yl)pyridazine-3-carboxamide
CID 62173485
5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170350

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide (CID 90978289) is 2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide is CCN1CCCC(NC(=O)c2ccc3nc(N)[nH]c3c2)C1.
What is the InChIKey of 2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is JPIOVQFEJBTFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-20-7-3-4-11(9-20)17-14(21)10-5-6-12-13(8-10)19-15(16)18-12/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,21)(H3,16,18,19).
What are the key properties of 2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide?
2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90978289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).