N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide

C24H31N3O2 — CID 40604042

IUPACN-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide
SMILESCC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C24H31N3O2/c1-17(2)19-9-11-20(12-10-19)23(28)25-21-7-5-6-8-22(21)26-13-15-27(16-14-26)24(29)18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,25,28)
InChIKeyXZDWIJORNAXYBL-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.37
Rot. Bonds5

About N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide

N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide (PubChem CID 40604042) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide
PubChem CID40604042
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide
SMILESCC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C24H31N3O2/c1-17(2)19-9-11-20(12-10-19)23(28)25-21-7-5-6-8-22(21)26-13-15-27(16-14-26)24(29)18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,25,28)
InChIKeyXZDWIJORNAXYBL-UHFFFAOYSA-N
XLogP4.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 17273882
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-2-carboxamide
CID 17066078
3-methyl-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-nitrobenzamide
CID 40612524
4-bromo-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 4530285
3-bromo-4-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 2212911
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-nitrobenzamide
CID 2960558
2-(4-chlorophenyl)sulfanyl-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 2959939
N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
CID 6458409
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1258048
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide
CID 40628480
4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide
CID 47045211
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide (CID 40604042) is N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide is CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide?
The InChIKey is XZDWIJORNAXYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-17(2)19-9-11-20(12-10-19)23(28)25-21-7-5-6-8-22(21)26-13-15-27(16-14-26)24(29)18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,25,28).
What are the key properties of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide?
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide has a molecular weight of 393.53 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 40604042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).