2-amino-2-methyl-N-[3-naphthalen-2-yl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]propanamide;hydrochloride

C29H34ClN5O3 — CID 21221990

About 2-amino-2-methyl-N-[3-naphthalen-2-yl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]propanamide;hydrochloride

2-amino-2-methyl-N-[3-naphthalen-2-yl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]propanamide;hydrochloride (PubChem CID 21221990) has the molecular formula C29H34ClN5O3 and a molecular weight of 536.08 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[3-naphthalen-2-yl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]propanamide;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-2-methyl-N-[3-naphthalen-2-yl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]propanamide;hydrochloride
• PubChem CID: 21221990
• Molecular Formula: C29H34ClN5O3
• Molecular Weight: 536.08 g/mol
• Exact Mass: 535.24
• IUPAC Name: 2-amino-2-methyl-N-[3-naphthalen-2-yl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]propanamide;hydrochloride
• SMILES: CC(C)(N)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.Cl
• InChI: InChI=1S/C29H33N5O3.ClH/c1-29(2,30)27(36)31-24(18-19-11-12-20-7-3-4-8-21(20)17-19)26(35)33-15-13-22(14-16-33)34-25-10-6-5-9-23(25)32-28(34)37;/h3-12,17,22,24H,13-16,18,30H2,1-2H3,(H,31,36)(H,32,37);1H
• InChIKey: UXCUWKOPTZBXTN-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 113.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.08
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[3-naphthalen-2-yl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]propanamide;hydrochloride?

The IUPAC name of 2-amino-2-methyl-N-[3-naphthalen-2-yl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]propanamide;hydrochloride (CID 21221990) is 2-amino-2-methyl-N-[3-naphthalen-2-yl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]propanamide;hydrochloride.

What is the SMILES notation for 2-amino-2-methyl-N-[3-naphthalen-2-yl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]propanamide;hydrochloride?

The canonical SMILES for 2-amino-2-methyl-N-[3-naphthalen-2-yl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]propanamide;hydrochloride is CC(C)(N)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.Cl.

What is the InChIKey of 2-amino-2-methyl-N-[3-naphthalen-2-yl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]propanamide;hydrochloride?

The InChIKey is UXCUWKOPTZBXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3.ClH/c1-29(2,30)27(36)31-24(18-19-11-12-20-7-3-4-8-21(20)17-19)26(35)33-15-13-22(14-16-33)34-25-10-6-5-9-23(25)32-28(34)37;/h3-12,17,22,24H,13-16,18,30H2,1-2H3,(H,31,36)(H,32,37);1H.

What are the key properties of 2-amino-2-methyl-N-[3-naphthalen-2-yl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]propanamide;hydrochloride?

2-amino-2-methyl-N-[3-naphthalen-2-yl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]propanamide;hydrochloride has a molecular weight of 536.08 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-methyl-N-[3-naphthalen-2-yl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 21221990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).