N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methylbutanamide

C22H27N3O2 — CID 1290444

IUPACN-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-17(2)16-21(26)23-19-10-6-7-11-20(19)24-12-14-25(15-13-24)22(27)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,23,26)
InChIKeyPEZIEDMHARXJOB-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.63
Rot. Bonds5

About N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methylbutanamide

N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methylbutanamide (PubChem CID 1290444) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methylbutanamide
PubChem CID1290444
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-17(2)16-21(26)23-19-10-6-7-11-20(19)24-12-14-25(15-13-24)22(27)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,23,26)
InChIKeyPEZIEDMHARXJOB-UHFFFAOYSA-N
XLogP3.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methylbutanamide?
The IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methylbutanamide (CID 1290444) is N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methylbutanamide?
The InChIKey is PEZIEDMHARXJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17(2)16-21(26)23-19-10-6-7-11-20(19)24-12-14-25(15-13-24)22(27)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methylbutanamide?
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methylbutanamide has a molecular weight of 365.48 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 1290444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).