N-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide

C16H25N3O2 — CID 106954484

IUPACN-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)N2CCNCC2)c(C)cc1O
InChIInChI=1S/C16H25N3O2/c1-11-10-14(20)12(2)9-13(11)18-15(21)16(3,4)19-7-5-17-6-8-19/h9-10,17,20H,5-8H2,1-4H3,(H,18,21)
InChIKeyKHSLRAXNQMKBJL-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.63
Rot. Bonds3

About N-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide

N-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 106954484) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID106954484
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)N2CCNCC2)c(C)cc1O
InChIInChI=1S/C16H25N3O2/c1-11-10-14(20)12(2)9-13(11)18-15(21)16(3,4)19-7-5-17-6-8-19/h9-10,17,20H,5-8H2,1-4H3,(H,18,21)
InChIKeyKHSLRAXNQMKBJL-UHFFFAOYSA-N
XLogP1.63
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide
CID 80548019
2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide
CID 80550540
2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide
CID 80547446
2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide
CID 103814539
2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide
CID 80548785
N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547728
2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide
CID 80548084
N-(2-ethylsulfanylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547875
tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate
CID 10609921
N-(4-hydroxy-2,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 106954509
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548312
N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547613

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide (CID 106954484) is N-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide is Cc1cc(NC(=O)C(C)(C)N2CCNCC2)c(C)cc1O.
What is the InChIKey of N-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is KHSLRAXNQMKBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-10-14(20)12(2)9-13(11)18-15(21)16(3,4)19-7-5-17-6-8-19/h9-10,17,20H,5-8H2,1-4H3,(H,18,21).
What are the key properties of N-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 291.40 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 106954484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).