N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide

C20H31N3O2 — CID 40628480

IUPACN-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C20H31N3O2/c1-4-5-6-11-19(24)21-17-9-7-8-10-18(17)22-12-14-23(15-13-22)20(25)16(2)3/h7-10,16H,4-6,11-15H2,1-3H3,(H,21,24)
InChIKeyRDHZQKXOHACUFB-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.51
Rot. Bonds7

About N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide

N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide (PubChem CID 40628480) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide
PubChem CID40628480
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C20H31N3O2/c1-4-5-6-11-19(24)21-17-9-7-8-10-18(17)22-12-14-23(15-13-22)20(25)16(2)3/h7-10,16H,4-6,11-15H2,1-3H3,(H,21,24)
InChIKeyRDHZQKXOHACUFB-UHFFFAOYSA-N
XLogP3.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-benzoylpiperazin-1-yl)phenyl]hexanamide
CID 2955977
2-(4-chlorophenyl)sulfanyl-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 2959939
2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 1017654
4-butoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 2958249
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 17273882
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide
CID 40604042
2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 1091619
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide
CID 39381273
N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide
CID 3953714
5-amino-N-(2-piperidin-1-ylphenyl)hexanamide
CID 82850412
4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901069
5-hydroxy-N-(2-piperidin-1-ylphenyl)pentanamide
CID 79199095

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide?
The IUPAC name of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide (CID 40628480) is N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide.
What is the SMILES notation for N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide?
The canonical SMILES for N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide is CCCCCC(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide?
The InChIKey is RDHZQKXOHACUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-4-5-6-11-19(24)21-17-9-7-8-10-18(17)22-12-14-23(15-13-22)20(25)16(2)3/h7-10,16H,4-6,11-15H2,1-3H3,(H,21,24).
What are the key properties of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide?
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide has a molecular weight of 345.49 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide is sourced from PubChem (CID 40628480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).