N-[4-(4-cyclohexylpiperazin-1-yl)butyl]-N-(2,6-dimethylhepta-1,3,5-trien-3-yl)acetamide

C25H43N3O — CID 123523545

IUPACN-[4-(4-cyclohexylpiperazin-1-yl)butyl]-N-(2,6-dimethylhepta-1,3,5-trien-3-yl)acetamide
SMILESC=C(C)C(=CC=C(C)C)N(CCCCN1CCN(C2CCCCC2)CC1)C(C)=O
InChIInChI=1S/C25H43N3O/c1-21(2)13-14-25(22(3)4)28(23(5)29)16-10-9-15-26-17-19-27(20-18-26)24-11-7-6-8-12-24/h13-14,24H,3,6-12,15-20H2,1-2,4-5H3
InChIKeyMOAIWOONUJHKEM-UHFFFAOYSA-N
MW401.64 g/mol
LogP4.99
Rot. Bonds9

About N-[4-(4-cyclohexylpiperazin-1-yl)butyl]-N-(2,6-dimethylhepta-1,3,5-trien-3-yl)acetamide

N-[4-(4-cyclohexylpiperazin-1-yl)butyl]-N-(2,6-dimethylhepta-1,3,5-trien-3-yl)acetamide (PubChem CID 123523545) has the molecular formula C25H43N3O and a molecular weight of 401.64 g/mol. Its IUPAC name is N-[4-(4-cyclohexylpiperazin-1-yl)butyl]-N-(2,6-dimethylhepta-1,3,5-trien-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-cyclohexylpiperazin-1-yl)butyl]-N-(2,6-dimethylhepta-1,3,5-trien-3-yl)acetamide
PubChem CID123523545
Molecular FormulaC25H43N3O
Molecular Weight401.64 g/mol
Exact Mass401.34
IUPAC NameN-[4-(4-cyclohexylpiperazin-1-yl)butyl]-N-(2,6-dimethylhepta-1,3,5-trien-3-yl)acetamide
SMILESC=C(C)C(=CC=C(C)C)N(CCCCN1CCN(C2CCCCC2)CC1)C(C)=O
InChIInChI=1S/C25H43N3O/c1-21(2)13-14-25(22(3)4)28(23(5)29)16-10-9-15-26-17-19-27(20-18-26)24-11-7-6-8-12-24/h13-14,24H,3,6-12,15-20H2,1-2,4-5H3
InChIKeyMOAIWOONUJHKEM-UHFFFAOYSA-N
XLogP4.99
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.64
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexylpiperazin-1-yl)butyl]-N-(2,6-dimethylhepta-1,3,5-trien-3-yl)acetamide?
The IUPAC name of N-[4-(4-cyclohexylpiperazin-1-yl)butyl]-N-(2,6-dimethylhepta-1,3,5-trien-3-yl)acetamide (CID 123523545) is N-[4-(4-cyclohexylpiperazin-1-yl)butyl]-N-(2,6-dimethylhepta-1,3,5-trien-3-yl)acetamide.
What is the SMILES notation for N-[4-(4-cyclohexylpiperazin-1-yl)butyl]-N-(2,6-dimethylhepta-1,3,5-trien-3-yl)acetamide?
The canonical SMILES for N-[4-(4-cyclohexylpiperazin-1-yl)butyl]-N-(2,6-dimethylhepta-1,3,5-trien-3-yl)acetamide is C=C(C)C(=CC=C(C)C)N(CCCCN1CCN(C2CCCCC2)CC1)C(C)=O.
What is the InChIKey of N-[4-(4-cyclohexylpiperazin-1-yl)butyl]-N-(2,6-dimethylhepta-1,3,5-trien-3-yl)acetamide?
The InChIKey is MOAIWOONUJHKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N3O/c1-21(2)13-14-25(22(3)4)28(23(5)29)16-10-9-15-26-17-19-27(20-18-26)24-11-7-6-8-12-24/h13-14,24H,3,6-12,15-20H2,1-2,4-5H3.
What are the key properties of N-[4-(4-cyclohexylpiperazin-1-yl)butyl]-N-(2,6-dimethylhepta-1,3,5-trien-3-yl)acetamide?
N-[4-(4-cyclohexylpiperazin-1-yl)butyl]-N-(2,6-dimethylhepta-1,3,5-trien-3-yl)acetamide has a molecular weight of 401.64 g/mol, XLogP of 4.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclohexylpiperazin-1-yl)butyl]-N-(2,6-dimethylhepta-1,3,5-trien-3-yl)acetamide is sourced from PubChem (CID 123523545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).