N-ethyl-2-[4-(2-hydroxy-5-propan-2-ylbenzoyl)piperazin-1-yl]acetamide

C18H27N3O3 — CID 51102823

IUPACN-ethyl-2-[4-(2-hydroxy-5-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(C(=O)c2cc(C(C)C)ccc2O)CC1
InChIInChI=1S/C18H27N3O3/c1-4-19-17(23)12-20-7-9-21(10-8-20)18(24)15-11-14(13(2)3)5-6-16(15)22/h5-6,11,13,22H,4,7-10,12H2,1-3H3,(H,19,23)
InChIKeyKLPFJAGAEAKMAI-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.41
Rot. Bonds5

About N-ethyl-2-[4-(2-hydroxy-5-propan-2-ylbenzoyl)piperazin-1-yl]acetamide

N-ethyl-2-[4-(2-hydroxy-5-propan-2-ylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 51102823) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-ethyl-2-[4-(2-hydroxy-5-propan-2-ylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(2-hydroxy-5-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
PubChem CID51102823
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-ethyl-2-[4-(2-hydroxy-5-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(C(=O)c2cc(C(C)C)ccc2O)CC1
InChIInChI=1S/C18H27N3O3/c1-4-19-17(23)12-20-7-9-21(10-8-20)18(24)15-11-14(13(2)3)5-6-16(15)22/h5-6,11,13,22H,4,7-10,12H2,1-3H3,(H,19,23)
InChIKeyKLPFJAGAEAKMAI-UHFFFAOYSA-N
XLogP1.41
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843977
N-ethyl-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 46448693
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-[2-(ethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 86838472
2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55842838
2-[4-[2-(2-cyanophenyl)benzoyl]piperazin-1-yl]-N-ethylacetamide
CID 39569290
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide
CID 54995847
2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049
(5-fluoro-2-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 79882938
(4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone
CID 110804708
2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide
CID 55447068
2-[4-(6-aminopyridine-3-carbonyl)piperazin-1-yl]-N-ethylacetamide
CID 72857433
4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 103497635

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(2-hydroxy-5-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-(2-hydroxy-5-propan-2-ylbenzoyl)piperazin-1-yl]acetamide (CID 51102823) is N-ethyl-2-[4-(2-hydroxy-5-propan-2-ylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(2-hydroxy-5-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-(2-hydroxy-5-propan-2-ylbenzoyl)piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(C(=O)c2cc(C(C)C)ccc2O)CC1.
What is the InChIKey of N-ethyl-2-[4-(2-hydroxy-5-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is KLPFJAGAEAKMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-19-17(23)12-20-7-9-21(10-8-20)18(24)15-11-14(13(2)3)5-6-16(15)22/h5-6,11,13,22H,4,7-10,12H2,1-3H3,(H,19,23).
What are the key properties of N-ethyl-2-[4-(2-hydroxy-5-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
N-ethyl-2-[4-(2-hydroxy-5-propan-2-ylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 333.43 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(2-hydroxy-5-propan-2-ylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 51102823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).