2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide

C26H36N4O3 — CID 42752791

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)CC(C)C)cc2C(=O)NC(C)C)CC1
InChIInChI=1S/C26H36N4O3/c1-18(2)16-25(31)28-20-10-11-22(21(17-20)26(32)27-19(3)4)29-12-14-30(15-13-29)23-8-6-7-9-24(23)33-5/h6-11,17-19H,12-16H2,1-5H3,(H,27,32)(H,28,31)
InChIKeyUCLGJRJFIQZLEX-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.14
Rot. Bonds8

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide

2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide (PubChem CID 42752791) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
PubChem CID42752791
Molecular FormulaC26H36N4O3
Molecular Weight452.60 g/mol
Exact Mass452.28
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)CC(C)C)cc2C(=O)NC(C)C)CC1
InChIInChI=1S/C26H36N4O3/c1-18(2)16-25(31)28-20-10-11-22(21(17-20)26(32)27-19(3)4)29-12-14-30(15-13-29)23-8-6-7-9-24(23)33-5/h6-11,17-19H,12-16H2,1-5H3,(H,27,32)(H,28,31)
InChIKeyUCLGJRJFIQZLEX-UHFFFAOYSA-N
XLogP4.14
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 1063445
5-[[2-(4-fluorophenyl)acetyl]amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylbenzamide
CID 42752794
5-(decanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylbenzamide
CID 4546349
5-[(4-chlorophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylbenzamide
CID 1064627
N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide
CID 3975573
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide
CID 112984474
N-[3-(butan-2-ylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-2,6-dimethoxybenzamide
CID 5134441
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid
CID 46362995
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)-5-[(2-phenylsulfanylacetyl)amino]benzamide
CID 4545099
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-yl-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42659925
N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4042669
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)-5-[(2-phenylmethoxyacetyl)amino]benzamide
CID 3903131

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide (CID 42752791) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide is COc1ccccc1N1CCN(c2ccc(NC(=O)CC(C)C)cc2C(=O)NC(C)C)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide?
The InChIKey is UCLGJRJFIQZLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-18(2)16-25(31)28-20-10-11-22(21(17-20)26(32)27-19(3)4)29-12-14-30(15-13-29)23-8-6-7-9-24(23)33-5/h6-11,17-19H,12-16H2,1-5H3,(H,27,32)(H,28,31).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide has a molecular weight of 452.60 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 42752791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).