1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide

C17H22ClN5O2 — CID 70768987

About 1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide

1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 70768987) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
• PubChem CID: 70768987
• Molecular Formula: C17H22ClN5O2
• Molecular Weight: 363.85 g/mol
• Exact Mass: 363.15
• IUPAC Name: 1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
• SMILES: NC(=O)CN1CCC(C(=O)NCCc2nc3ccc(Cl)cc3[nH]2)CC1
• InChI: InChI=1S/C17H22ClN5O2/c18-12-1-2-13-14(9-12)22-16(21-13)3-6-20-17(25)11-4-7-23(8-5-11)10-15(19)24/h1-2,9,11H,3-8,10H2,(H2,19,24)(H,20,25)(H,21,22)
• InChIKey: UXNQPAQITJGICM-UHFFFAOYSA-N
• XLogP: 1.07
• TPSA: 104.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.85
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide?

The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide (CID 70768987) is 1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide is NC(=O)CN1CCC(C(=O)NCCc2nc3ccc(Cl)cc3[nH]2)CC1.

What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide?

The InChIKey is UXNQPAQITJGICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2/c18-12-1-2-13-14(9-12)22-16(21-13)3-6-20-17(25)11-4-7-23(8-5-11)10-15(19)24/h1-2,9,11H,3-8,10H2,(H2,19,24)(H,20,25)(H,21,22).

What are the key properties of 1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide?

1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 70768987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).