N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide

C17H24ClN3O2 — CID 25239469

IUPACN-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C17H24ClN3O2/c1-12(2)10-17(23)21-8-6-20(7-9-21)16-5-4-14(18)11-15(16)19-13(3)22/h4-5,11-12H,6-10H2,1-3H3,(H,19,22)
InChIKeyAXSIIDOXWREXSI-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.99
Rot. Bonds4

About N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide

N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide (PubChem CID 25239469) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide
PubChem CID25239469
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C17H24ClN3O2/c1-12(2)10-17(23)21-8-6-20(7-9-21)16-5-4-14(18)11-15(16)19-13(3)22/h4-5,11-12H,6-10H2,1-3H3,(H,19,22)
InChIKeyAXSIIDOXWREXSI-UHFFFAOYSA-N
XLogP2.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide (CID 25239469) is N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide?
The InChIKey is AXSIIDOXWREXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-12(2)10-17(23)21-8-6-20(7-9-21)16-5-4-14(18)11-15(16)19-13(3)22/h4-5,11-12H,6-10H2,1-3H3,(H,19,22).
What are the key properties of N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide?
N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide has a molecular weight of 337.85 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 25239469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).