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

C31H45N3O2 — CID 5188422

IUPACN-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C31H45N3O2/c1-5-6-7-8-9-10-11-12-29(35)32-27-17-19-28(20-18-27)33-21-23-34(24-22-33)30(36)25-13-15-26(16-14-25)31(2,3)4/h13-20H,5-12,21-24H2,1-4H3,(H,32,35)
InChIKeyLSBIUSSMFGCJFY-UHFFFAOYSA-N
MW491.72 g/mol
LogP7.03
Rot. Bonds11

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

N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]decanamide (PubChem CID 5188422) has the molecular formula C31H45N3O2 and a molecular weight of 491.72 g/mol. Its IUPAC name is N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]decanamide.

Molecular Properties

Compound NameN-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]decanamide
PubChem CID5188422
Molecular FormulaC31H45N3O2
Molecular Weight491.72 g/mol
Exact Mass491.35
IUPAC NameN-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C31H45N3O2/c1-5-6-7-8-9-10-11-12-29(35)32-27-17-19-28(20-18-27)33-21-23-34(24-22-33)30(36)25-13-15-26(16-14-25)31(2,3)4/h13-20H,5-12,21-24H2,1-4H3,(H,32,35)
InChIKeyLSBIUSSMFGCJFY-UHFFFAOYSA-N
XLogP7.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.72
LogP ≤ 57.03
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'}

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Related Compounds

N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide
CID 3880264
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]decanamide?
The IUPAC name of N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]decanamide (CID 5188422) is N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]decanamide.
What is the SMILES notation for N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]decanamide?
The canonical SMILES for N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]decanamide is CCCCCCCCCC(=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]decanamide?
The InChIKey is LSBIUSSMFGCJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45N3O2/c1-5-6-7-8-9-10-11-12-29(35)32-27-17-19-28(20-18-27)33-21-23-34(24-22-33)30(36)25-13-15-26(16-14-25)31(2,3)4/h13-20H,5-12,21-24H2,1-4H3,(H,32,35).
What are the key properties of N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]decanamide?
N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]decanamide has a molecular weight of 491.72 g/mol, XLogP of 7.03, 11 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]decanamide is sourced from PubChem (CID 5188422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).