N-(2-aminoethyl)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]piperidine-3-carboxamide

C19H27N5O3 — CID 119481551

About N-(2-aminoethyl)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]piperidine-3-carboxamide (PubChem CID 119481551) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]piperidine-3-carboxamide
• PubChem CID: 119481551
• Molecular Formula: C19H27N5O3
• Molecular Weight: 373.46 g/mol
• Exact Mass: 373.21
• IUPAC Name: N-(2-aminoethyl)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]piperidine-3-carboxamide
• SMILES: NCCNC(=O)C1CCCN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C1
• InChI: InChI=1S/C19H27N5O3/c20-8-9-21-18(26)14-4-2-10-24(12-14)17(25)5-1-3-13-6-7-15-16(11-13)23-19(27)22-15/h6-7,11,14H,1-5,8-10,12,20H2,(H,21,26)(H2,22,23,27)
• InChIKey: XGWWTZXHOHJKGS-UHFFFAOYSA-N
• XLogP: 0.49
• TPSA: 124.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.46
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]piperidine-3-carboxamide?

The IUPAC name of N-(2-aminoethyl)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]piperidine-3-carboxamide (CID 119481551) is N-(2-aminoethyl)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]piperidine-3-carboxamide.

What is the SMILES notation for N-(2-aminoethyl)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]piperidine-3-carboxamide?

The canonical SMILES for N-(2-aminoethyl)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C1.

What is the InChIKey of N-(2-aminoethyl)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]piperidine-3-carboxamide?

The InChIKey is XGWWTZXHOHJKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c20-8-9-21-18(26)14-4-2-10-24(12-14)17(25)5-1-3-13-6-7-15-16(11-13)23-19(27)22-15/h6-7,11,14H,1-5,8-10,12,20H2,(H,21,26)(H2,22,23,27).

What are the key properties of N-(2-aminoethyl)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]piperidine-3-carboxamide?

N-(2-aminoethyl)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]piperidine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 0.49, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 119481551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).