N-[1-[[(3E)-5-(cyclopropylamino)-4-methylhexa-3,5-dien-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide

C25H44N4O2 — CID 143024107

About N-[1-[[(3E)-5-(cyclopropylamino)-4-methylhexa-3,5-dien-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide

N-[1-[[(3E)-5-(cyclopropylamino)-4-methylhexa-3,5-dien-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide (PubChem CID 143024107) has the molecular formula C25H44N4O2 and a molecular weight of 432.65 g/mol. Its IUPAC name is N-[1-[[(3E)-5-(cyclopropylamino)-4-methylhexa-3,5-dien-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[(3E)-5-(cyclopropylamino)-4-methylhexa-3,5-dien-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide
• PubChem CID: 143024107
• Molecular Formula: C25H44N4O2
• Molecular Weight: 432.65 g/mol
• Exact Mass: 432.35
• IUPAC Name: N-[1-[[(3E)-5-(cyclopropylamino)-4-methylhexa-3,5-dien-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide
• SMILES: C=C(NC1CC1)/C(C)=C/C(C)N(C)C(=O)C(NC(=O)C1CCCCN1C(C)C)C(C)C
• InChI: InChI=1S/C25H44N4O2/c1-16(2)23(27-24(30)22-11-9-10-14-29(22)17(3)4)25(31)28(8)19(6)15-18(5)20(7)26-21-12-13-21/h15-17,19,21-23,26H,7,9-14H2,1-6,8H3,(H,27,30)/b18-15+
• InChIKey: FVCXGEXECKKBFZ-OBGWFSINSA-N
• XLogP: 3.45
• TPSA: 64.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.65
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(3E)-5-(cyclopropylamino)-4-methylhexa-3,5-dien-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide?

The IUPAC name of N-[1-[[(3E)-5-(cyclopropylamino)-4-methylhexa-3,5-dien-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide (CID 143024107) is N-[1-[[(3E)-5-(cyclopropylamino)-4-methylhexa-3,5-dien-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide.

What is the SMILES notation for N-[1-[[(3E)-5-(cyclopropylamino)-4-methylhexa-3,5-dien-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide?

The canonical SMILES for N-[1-[[(3E)-5-(cyclopropylamino)-4-methylhexa-3,5-dien-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide is C=C(NC1CC1)/C(C)=C/C(C)N(C)C(=O)C(NC(=O)C1CCCCN1C(C)C)C(C)C.

What is the InChIKey of N-[1-[[(3E)-5-(cyclopropylamino)-4-methylhexa-3,5-dien-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide?

The InChIKey is FVCXGEXECKKBFZ-OBGWFSINSA-N. The full InChI is InChI=1S/C25H44N4O2/c1-16(2)23(27-24(30)22-11-9-10-14-29(22)17(3)4)25(31)28(8)19(6)15-18(5)20(7)26-21-12-13-21/h15-17,19,21-23,26H,7,9-14H2,1-6,8H3,(H,27,30)/b18-15+.

What are the key properties of N-[1-[[(3E)-5-(cyclopropylamino)-4-methylhexa-3,5-dien-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide?

N-[1-[[(3E)-5-(cyclopropylamino)-4-methylhexa-3,5-dien-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 432.65 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[(3E)-5-(cyclopropylamino)-4-methylhexa-3,5-dien-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 143024107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).