N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]pentanamide

C24H39N3O2 — CID 3428512

IUPACN-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(N2CCN(C(=O)CC(C)CC(C)(C)C)CC2)cc1
InChIInChI=1S/C24H39N3O2/c1-6-7-8-22(28)25-20-9-11-21(12-10-20)26-13-15-27(16-14-26)23(29)17-19(2)18-24(3,4)5/h9-12,19H,6-8,13-18H2,1-5H3,(H,25,28)
InChIKeyXZZLRLWAVNWXHB-UHFFFAOYSA-N
MW401.60 g/mol
LogP4.93
Rot. Bonds8

About N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]pentanamide

N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]pentanamide (PubChem CID 3428512) has the molecular formula C24H39N3O2 and a molecular weight of 401.60 g/mol. Its IUPAC name is N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]pentanamide
PubChem CID3428512
Molecular FormulaC24H39N3O2
Molecular Weight401.60 g/mol
Exact Mass401.30
IUPAC NameN-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(N2CCN(C(=O)CC(C)CC(C)(C)C)CC2)cc1
InChIInChI=1S/C24H39N3O2/c1-6-7-8-22(28)25-20-9-11-21(12-10-20)26-13-15-27(16-14-26)23(29)17-19(2)18-24(3,4)5/h9-12,19H,6-8,13-18H2,1-5H3,(H,25,28)
InChIKeyXZZLRLWAVNWXHB-UHFFFAOYSA-N
XLogP4.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]hexanamide
CID 5128882
3-cyclopentyl-N-[4-[4-[(3R)-3,5,5-trimethylhexanoyl]piperazin-1-yl]phenyl]propanamide
CID 1056160
N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]acetamide
CID 4041939
2-phenyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]acetamide
CID 3667014
4-ethyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide
CID 5205904
(3R)-3,5,5-trimethyl-N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]hexanamide
CID 1057915
3-methoxy-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide
CID 3949255
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide
CID 3578514
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide
CID 4558492
N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]nonanamide
CID 4553129
N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide
CID 3880264

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]pentanamide?
The IUPAC name of N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]pentanamide (CID 3428512) is N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]pentanamide?
The canonical SMILES for N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(N2CCN(C(=O)CC(C)CC(C)(C)C)CC2)cc1.
What is the InChIKey of N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]pentanamide?
The InChIKey is XZZLRLWAVNWXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O2/c1-6-7-8-22(28)25-20-9-11-21(12-10-20)26-13-15-27(16-14-26)23(29)17-19(2)18-24(3,4)5/h9-12,19H,6-8,13-18H2,1-5H3,(H,25,28).
What are the key properties of N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]pentanamide?
N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]pentanamide has a molecular weight of 401.60 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]pentanamide is sourced from PubChem (CID 3428512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).