N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide

C27H38N4O3 — CID 55634046

IUPACN-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)NCCCN1CCN(Cc2ccccc2)CC1)C(C)C
InChIInChI=1S/C27H38N4O3/c1-21(2)25(29-26(32)23-12-7-8-13-24(23)34-3)27(33)28-14-9-15-30-16-18-31(19-17-30)20-22-10-5-4-6-11-22/h4-8,10-13,21,25H,9,14-20H2,1-3H3,(H,28,33)(H,29,32)
InChIKeyFAYCSHYMYKKKQU-UHFFFAOYSA-N
MW466.63 g/mol
LogP2.77
Rot. Bonds11

About N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide

N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide (PubChem CID 55634046) has the molecular formula C27H38N4O3 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
PubChem CID55634046
Molecular FormulaC27H38N4O3
Molecular Weight466.63 g/mol
Exact Mass466.29
IUPAC NameN-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)NCCCN1CCN(Cc2ccccc2)CC1)C(C)C
InChIInChI=1S/C27H38N4O3/c1-21(2)25(29-26(32)23-12-7-8-13-24(23)34-3)27(33)28-14-9-15-30-16-18-31(19-17-30)20-22-10-5-4-6-11-22/h4-8,10-13,21,25H,9,14-20H2,1-3H3,(H,28,33)(H,29,32)
InChIKeyFAYCSHYMYKKKQU-UHFFFAOYSA-N
XLogP2.77
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide 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-chloro-N-[(2S)-1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51941916
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide
CID 55997633
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide
CID 34580207
2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119429462
N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 78799665
2-methyl-N-[3-methyl-1-oxo-1-[3-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]benzamide
CID 55638967
2-chloro-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide
CID 119392237
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide
CID 33249575
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55979600
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 55696937
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 55633946

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide (CID 55634046) is N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(C(=O)NCCCN1CCN(Cc2ccccc2)CC1)C(C)C.
What is the InChIKey of N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The InChIKey is FAYCSHYMYKKKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O3/c1-21(2)25(29-26(32)23-12-7-8-13-24(23)34-3)27(33)28-14-9-15-30-16-18-31(19-17-30)20-22-10-5-4-6-11-22/h4-8,10-13,21,25H,9,14-20H2,1-3H3,(H,28,33)(H,29,32).
What are the key properties of N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide?
N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide has a molecular weight of 466.63 g/mol, XLogP of 2.77, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 55634046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).