N,N-dimethyl-1-[[[N'-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide

C21H42IN5O — CID 111571258

About N,N-dimethyl-1-[[[N'-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide

N,N-dimethyl-1-[[[N'-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide (PubChem CID 111571258) has the molecular formula C21H42IN5O and a molecular weight of 507.51 g/mol. Its IUPAC name is N,N-dimethyl-1-[[[N'-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide.

Molecular Properties

• Compound Name: N,N-dimethyl-1-[[[N'-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
• PubChem CID: 111571258
• Molecular Formula: C21H42IN5O
• Molecular Weight: 507.51 g/mol
• Exact Mass: 507.24
• IUPAC Name: N,N-dimethyl-1-[[[N'-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
• SMILES: C/N=C(\NCC1(C(=O)N(C)C)CCCC1)NCC(C)(C)N1CCCC(C)C1.I
• InChI: InChI=1S/C21H41N5O.HI/c1-17-10-9-13-26(14-17)20(2,3)15-23-19(22-4)24-16-21(11-7-8-12-21)18(27)25(5)6;/h17H,7-16H2,1-6H3,(H2,22,23,24);1H
• InChIKey: VKAUFAHDNYSBRQ-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 59.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.51
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[[N'-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?

The IUPAC name of N,N-dimethyl-1-[[[N'-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide (CID 111571258) is N,N-dimethyl-1-[[[N'-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide.

What is the SMILES notation for N,N-dimethyl-1-[[[N'-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?

The canonical SMILES for N,N-dimethyl-1-[[[N'-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide is C/N=C(\NCC1(C(=O)N(C)C)CCCC1)NCC(C)(C)N1CCCC(C)C1.I.

What is the InChIKey of N,N-dimethyl-1-[[[N'-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?

The InChIKey is VKAUFAHDNYSBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N5O.HI/c1-17-10-9-13-26(14-17)20(2,3)15-23-19(22-4)24-16-21(11-7-8-12-21)18(27)25(5)6;/h17H,7-16H2,1-6H3,(H2,22,23,24);1H.

What are the key properties of N,N-dimethyl-1-[[[N'-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?

N,N-dimethyl-1-[[[N'-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide has a molecular weight of 507.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-[[[N'-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide is sourced from PubChem (CID 111571258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).