N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide

C29H41N3O2 — CID 3880264

IUPACN-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C29H41N3O2/c1-5-6-7-8-9-10-27(33)30-25-15-17-26(18-16-25)31-19-21-32(22-20-31)28(34)23-11-13-24(14-12-23)29(2,3)4/h11-18H,5-10,19-22H2,1-4H3,(H,30,33)
InChIKeyLFMZOJWGIDCXEE-UHFFFAOYSA-N
MW463.67 g/mol
LogP6.25
Rot. Bonds9

About N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide

N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide (PubChem CID 3880264) has the molecular formula C29H41N3O2 and a molecular weight of 463.67 g/mol. Its IUPAC name is N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide.

Molecular Properties

Compound NameN-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide
PubChem CID3880264
Molecular FormulaC29H41N3O2
Molecular Weight463.67 g/mol
Exact Mass463.32
IUPAC NameN-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C29H41N3O2/c1-5-6-7-8-9-10-27(33)30-25-15-17-26(18-16-25)31-19-21-32(22-20-31)28(34)23-11-13-24(14-12-23)29(2,3)4/h11-18H,5-10,19-22H2,1-4H3,(H,30,33)
InChIKeyLFMZOJWGIDCXEE-UHFFFAOYSA-N
XLogP6.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.67
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]decanamide
CID 5188422
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]pentanamide
CID 4630313
N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]nonanamide
CID 4553129
N-(4-tert-butylphenyl)dodecanamide
CID 118504435
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]pentanamide
CID 2956194
N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]hexanamide
CID 22780944
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide
CID 3578514
N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]hexanamide
CID 5128882
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 1016330
1-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 42663789
1-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3-(3,4-dimethylphenyl)urea
CID 1056874
N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide
CID 43878316

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide?
The IUPAC name of N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide (CID 3880264) is N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide.
What is the SMILES notation for N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide?
The canonical SMILES for N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide is CCCCCCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide?
The InChIKey is LFMZOJWGIDCXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O2/c1-5-6-7-8-9-10-27(33)30-25-15-17-26(18-16-25)31-19-21-32(22-20-31)28(34)23-11-13-24(14-12-23)29(2,3)4/h11-18H,5-10,19-22H2,1-4H3,(H,30,33).
What are the key properties of N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide?
N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide has a molecular weight of 463.67 g/mol, XLogP of 6.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide is sourced from PubChem (CID 3880264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).