4-(2-benzamido-3-phenylpropanoyl)-N-butyl-2-methylpiperazine-1-carboxamide

C26H34N4O3 — CID 42707549

IUPAC4-(2-benzamido-3-phenylpropanoyl)-N-butyl-2-methylpiperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1C
InChIInChI=1S/C26H34N4O3/c1-3-4-15-27-26(33)30-17-16-29(19-20(30)2)25(32)23(18-21-11-7-5-8-12-21)28-24(31)22-13-9-6-10-14-22/h5-14,20,23H,3-4,15-19H2,1-2H3,(H,27,33)(H,28,31)
InChIKeyLYDDNNCCMYXFPG-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.07
Rot. Bonds8

About 4-(2-benzamido-3-phenylpropanoyl)-N-butyl-2-methylpiperazine-1-carboxamide

4-(2-benzamido-3-phenylpropanoyl)-N-butyl-2-methylpiperazine-1-carboxamide (PubChem CID 42707549) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 4-(2-benzamido-3-phenylpropanoyl)-N-butyl-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-benzamido-3-phenylpropanoyl)-N-butyl-2-methylpiperazine-1-carboxamide
PubChem CID42707549
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name4-(2-benzamido-3-phenylpropanoyl)-N-butyl-2-methylpiperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1C
InChIInChI=1S/C26H34N4O3/c1-3-4-15-27-26(33)30-17-16-29(19-20(30)2)25(32)23(18-21-11-7-5-8-12-21)28-24(31)22-13-9-6-10-14-22/h5-14,20,23H,3-4,15-19H2,1-2H3,(H,27,33)(H,28,31)
InChIKeyLYDDNNCCMYXFPG-UHFFFAOYSA-N
XLogP3.07
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-benzamido-3-phenylpropanoyl)-N-butyl-2-methylpiperazine-1-carboxamide 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

4-fluoro-N-[1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42707402
N-[1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 42707480
N-benzyl-4-[2-[(4-butylbenzoyl)amino]-3-(1H-indol-3-yl)propanoyl]-2-methylpiperazine-1-carboxamide
CID 42708602
N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42707474
N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 51730216
2-methyl-4-[3-phenyl-2-(phenylcarbamoylamino)propanoyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42707531
N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 119576791
4-chloro-N-[(2R)-1-[(3R)-4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 98424401
3,3-dimethyl-N-[1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 42707484
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 42707504
N-butyl-2-methyl-4-[3-methyl-2-[(3-nitrobenzoyl)amino]pentanoyl]piperazine-1-carboxamide
CID 42724930
4-[2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-phenylpropanoyl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide
CID 42701559

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzamido-3-phenylpropanoyl)-N-butyl-2-methylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-benzamido-3-phenylpropanoyl)-N-butyl-2-methylpiperazine-1-carboxamide (CID 42707549) is 4-(2-benzamido-3-phenylpropanoyl)-N-butyl-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-benzamido-3-phenylpropanoyl)-N-butyl-2-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-benzamido-3-phenylpropanoyl)-N-butyl-2-methylpiperazine-1-carboxamide is CCCCNC(=O)N1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1C.
What is the InChIKey of 4-(2-benzamido-3-phenylpropanoyl)-N-butyl-2-methylpiperazine-1-carboxamide?
The InChIKey is LYDDNNCCMYXFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-3-4-15-27-26(33)30-17-16-29(19-20(30)2)25(32)23(18-21-11-7-5-8-12-21)28-24(31)22-13-9-6-10-14-22/h5-14,20,23H,3-4,15-19H2,1-2H3,(H,27,33)(H,28,31).
What are the key properties of 4-(2-benzamido-3-phenylpropanoyl)-N-butyl-2-methylpiperazine-1-carboxamide?
4-(2-benzamido-3-phenylpropanoyl)-N-butyl-2-methylpiperazine-1-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzamido-3-phenylpropanoyl)-N-butyl-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 42707549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).