(2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone

C15H19N3O — CID 82499869

IUPAC(2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone
SMILESCCc1nc2ccc(C(=O)C3CCNCC3)cc2[nH]1
InChIInChI=1S/C15H19N3O/c1-2-14-17-12-4-3-11(9-13(12)18-14)15(19)10-5-7-16-8-6-10/h3-4,9-10,16H,2,5-8H2,1H3,(H,17,18)
InChIKeyQWOBDDGKLFHVDX-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.31
Rot. Bonds3

About (2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone

(2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone (PubChem CID 82499869) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone
PubChem CID82499869
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone
SMILESCCc1nc2ccc(C(=O)C3CCNCC3)cc2[nH]1
InChIInChI=1S/C15H19N3O/c1-2-14-17-12-4-3-11(9-13(12)18-14)15(19)10-5-7-16-8-6-10/h3-4,9-10,16H,2,5-8H2,1H3,(H,17,18)
InChIKeyQWOBDDGKLFHVDX-UHFFFAOYSA-N
XLogP2.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone?
The IUPAC name of (2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone (CID 82499869) is (2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone is CCc1nc2ccc(C(=O)C3CCNCC3)cc2[nH]1.
What is the InChIKey of (2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone?
The InChIKey is QWOBDDGKLFHVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-14-17-12-4-3-11(9-13(12)18-14)15(19)10-5-7-16-8-6-10/h3-4,9-10,16H,2,5-8H2,1H3,(H,17,18).
What are the key properties of (2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone?
(2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone has a molecular weight of 257.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 82499869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).