N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinoline-6-carboxamide

C24H25N5O2 — CID 44573598

IUPACN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinoline-6-carboxamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc2ncccc2c1
InChIInChI=1S/C24H25N5O2/c30-23(18-7-8-20-17(16-18)4-3-11-25-20)26-12-15-28-13-9-19(10-14-28)29-22-6-2-1-5-21(22)27-24(29)31/h1-8,11,16,19H,9-10,12-15H2,(H,26,30)(H,27,31)
InChIKeyAQBINFRWIVSTNH-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.94
Rot. Bonds5

About N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinoline-6-carboxamide

N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinoline-6-carboxamide (PubChem CID 44573598) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinoline-6-carboxamide
PubChem CID44573598
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinoline-6-carboxamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc2ncccc2c1
InChIInChI=1S/C24H25N5O2/c30-23(18-7-8-20-17(16-18)4-3-11-25-20)26-12-15-28-13-9-19(10-14-28)29-22-6-2-1-5-21(22)27-24(29)31/h1-8,11,16,19H,9-10,12-15H2,(H,26,30)(H,27,31)
InChIKeyAQBINFRWIVSTNH-UHFFFAOYSA-N
XLogP2.94
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinoline-6-carboxamide?
The IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinoline-6-carboxamide (CID 44573598) is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinoline-6-carboxamide?
The canonical SMILES for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinoline-6-carboxamide is O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc2ncccc2c1.
What is the InChIKey of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinoline-6-carboxamide?
The InChIKey is AQBINFRWIVSTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-23(18-7-8-20-17(16-18)4-3-11-25-20)26-12-15-28-13-9-19(10-14-28)29-22-6-2-1-5-21(22)27-24(29)31/h1-8,11,16,19H,9-10,12-15H2,(H,26,30)(H,27,31).
What are the key properties of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinoline-6-carboxamide?
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinoline-6-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinoline-6-carboxamide is sourced from PubChem (CID 44573598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).