N,N-dimethyl-2-[4-[3-propan-2-yl-2-[(3E,5Z)-2,3,6,7-tetramethylnona-1,3,5-trien-4-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide

C33H49N3O — CID 142302384

About N,N-dimethyl-2-[4-[3-propan-2-yl-2-[(3E,5Z)-2,3,6,7-tetramethylnona-1,3,5-trien-4-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide

N,N-dimethyl-2-[4-[3-propan-2-yl-2-[(3E,5Z)-2,3,6,7-tetramethylnona-1,3,5-trien-4-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide (PubChem CID 142302384) has the molecular formula C33H49N3O and a molecular weight of 503.78 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[3-propan-2-yl-2-[(3E,5Z)-2,3,6,7-tetramethylnona-1,3,5-trien-4-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[4-[3-propan-2-yl-2-[(3E,5Z)-2,3,6,7-tetramethylnona-1,3,5-trien-4-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide
• PubChem CID: 142302384
• Molecular Formula: C33H49N3O
• Molecular Weight: 503.78 g/mol
• Exact Mass: 503.39
• IUPAC Name: N,N-dimethyl-2-[4-[3-propan-2-yl-2-[(3E,5Z)-2,3,6,7-tetramethylnona-1,3,5-trien-4-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide
• SMILES: C=C(C)/C(C)=C(\C=C(\C)C(C)CC)c1[nH]c2ccc(C3CCN(CC(=O)N(C)C)CC3)cc2c1C(C)C
• InChI: InChI=1S/C33H49N3O/c1-11-23(6)24(7)18-28(25(8)21(2)3)33-32(22(4)5)29-19-27(12-13-30(29)34-33)26-14-16-36(17-15-26)20-31(37)35(9)10/h12-13,18-19,22-23,26,34H,2,11,14-17,20H2,1,3-10H3/b24-18-,28-25+
• InChIKey: RQAIXZDEKOAMHO-RKIOSWPMSA-N
• XLogP: 7.90
• TPSA: 39.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.78
LogP ≤ 5	7.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[3-propan-2-yl-2-[(3E,5Z)-2,3,6,7-tetramethylnona-1,3,5-trien-4-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide?

The IUPAC name of N,N-dimethyl-2-[4-[3-propan-2-yl-2-[(3E,5Z)-2,3,6,7-tetramethylnona-1,3,5-trien-4-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide (CID 142302384) is N,N-dimethyl-2-[4-[3-propan-2-yl-2-[(3E,5Z)-2,3,6,7-tetramethylnona-1,3,5-trien-4-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide.

What is the SMILES notation for N,N-dimethyl-2-[4-[3-propan-2-yl-2-[(3E,5Z)-2,3,6,7-tetramethylnona-1,3,5-trien-4-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide?

The canonical SMILES for N,N-dimethyl-2-[4-[3-propan-2-yl-2-[(3E,5Z)-2,3,6,7-tetramethylnona-1,3,5-trien-4-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide is C=C(C)/C(C)=C(\C=C(\C)C(C)CC)c1[nH]c2ccc(C3CCN(CC(=O)N(C)C)CC3)cc2c1C(C)C.

What is the InChIKey of N,N-dimethyl-2-[4-[3-propan-2-yl-2-[(3E,5Z)-2,3,6,7-tetramethylnona-1,3,5-trien-4-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide?

The InChIKey is RQAIXZDEKOAMHO-RKIOSWPMSA-N. The full InChI is InChI=1S/C33H49N3O/c1-11-23(6)24(7)18-28(25(8)21(2)3)33-32(22(4)5)29-19-27(12-13-30(29)34-33)26-14-16-36(17-15-26)20-31(37)35(9)10/h12-13,18-19,22-23,26,34H,2,11,14-17,20H2,1,3-10H3/b24-18-,28-25+.

What are the key properties of N,N-dimethyl-2-[4-[3-propan-2-yl-2-[(3E,5Z)-2,3,6,7-tetramethylnona-1,3,5-trien-4-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide?

N,N-dimethyl-2-[4-[3-propan-2-yl-2-[(3E,5Z)-2,3,6,7-tetramethylnona-1,3,5-trien-4-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide has a molecular weight of 503.78 g/mol, XLogP of 7.90, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[4-[3-propan-2-yl-2-[(3E,5Z)-2,3,6,7-tetramethylnona-1,3,5-trien-4-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 142302384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).