N-butan-2-yl-2-[4-(2,4-dichloro-6-hydroxybenzoyl)piperazin-1-yl]acetamide

C17H23Cl2N3O3 — CID 146091593

IUPACN-butan-2-yl-2-[4-(2,4-dichloro-6-hydroxybenzoyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O3/c1-3-11(2)20-15(24)10-21-4-6-22(7-5-21)17(25)16-13(19)8-12(18)9-14(16)23/h8-9,11,23H,3-7,10H2,1-2H3,(H,20,24)
InChIKeyTYFKGNQANXKOAB-UHFFFAOYSA-N
MW388.30 g/mol
LogP2.37
Rot. Bonds5

About N-butan-2-yl-2-[4-(2,4-dichloro-6-hydroxybenzoyl)piperazin-1-yl]acetamide

N-butan-2-yl-2-[4-(2,4-dichloro-6-hydroxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 146091593) has the molecular formula C17H23Cl2N3O3 and a molecular weight of 388.30 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(2,4-dichloro-6-hydroxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(2,4-dichloro-6-hydroxybenzoyl)piperazin-1-yl]acetamide
PubChem CID146091593
Molecular FormulaC17H23Cl2N3O3
Molecular Weight388.30 g/mol
Exact Mass387.11
IUPAC NameN-butan-2-yl-2-[4-(2,4-dichloro-6-hydroxybenzoyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O3/c1-3-11(2)20-15(24)10-21-4-6-22(7-5-21)17(25)16-13(19)8-12(18)9-14(16)23/h8-9,11,23H,3-7,10H2,1-2H3,(H,20,24)
InChIKeyTYFKGNQANXKOAB-UHFFFAOYSA-N
XLogP2.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide
CID 32665716
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156810
N-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 55885110
(2,4-dichloro-6-hydroxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023032
N-[(2R)-butan-2-yl]-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258777
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 134043822
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 134049016
N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide
CID 134043760
N-butan-2-yl-2-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 55563733
2-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-butan-2-yl]acetamide
CID 37308319
N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide
CID 55564403

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(2,4-dichloro-6-hydroxybenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-(2,4-dichloro-6-hydroxybenzoyl)piperazin-1-yl]acetamide (CID 146091593) is N-butan-2-yl-2-[4-(2,4-dichloro-6-hydroxybenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(2,4-dichloro-6-hydroxybenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-(2,4-dichloro-6-hydroxybenzoyl)piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(2,4-dichloro-6-hydroxybenzoyl)piperazin-1-yl]acetamide?
The InChIKey is TYFKGNQANXKOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O3/c1-3-11(2)20-15(24)10-21-4-6-22(7-5-21)17(25)16-13(19)8-12(18)9-14(16)23/h8-9,11,23H,3-7,10H2,1-2H3,(H,20,24).
What are the key properties of N-butan-2-yl-2-[4-(2,4-dichloro-6-hydroxybenzoyl)piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-(2,4-dichloro-6-hydroxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 388.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(2,4-dichloro-6-hydroxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 146091593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).