4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride

C19H29Cl2N3O2 — CID 119559694

About 4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride

4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride (PubChem CID 119559694) has the molecular formula C19H29Cl2N3O2 and a molecular weight of 402.37 g/mol. Its IUPAC name is 4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride.

Molecular Properties

• Compound Name: 4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
• PubChem CID: 119559694
• Molecular Formula: C19H29Cl2N3O2
• Molecular Weight: 402.37 g/mol
• Exact Mass: 401.16
• IUPAC Name: 4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
• SMILES: CCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(NC)CC1.Cl
• InChI: InChI=1S/C19H28ClN3O2.ClH/c1-4-13(2)17(19(25)23-11-9-16(21-3)10-12-23)22-18(24)14-5-7-15(20)8-6-14;/h5-8,13,16-17,21H,4,9-12H2,1-3H3,(H,22,24);1H
• InChIKey: RHBZCJJYZPKNLW-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.37
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride?

The IUPAC name of 4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride (CID 119559694) is 4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride.

What is the SMILES notation for 4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride?

The canonical SMILES for 4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride is CCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(NC)CC1.Cl.

What is the InChIKey of 4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride?

The InChIKey is RHBZCJJYZPKNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2.ClH/c1-4-13(2)17(19(25)23-11-9-16(21-3)10-12-23)22-18(24)14-5-7-15(20)8-6-14;/h5-8,13,16-17,21H,4,9-12H2,1-3H3,(H,22,24);1H.

What are the key properties of 4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride?

4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride has a molecular weight of 402.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119559694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).