3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide

C28H32N4O2 — CID 129456366

IUPAC3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc([C@@H]2CN(CC(=O)NC(c3ccccc3)c3ccccc3)CCN2C)c1
InChIInChI=1S/C28H32N4O2/c1-29-28(34)24-15-9-14-23(18-24)25-19-32(17-16-31(25)2)20-26(33)30-27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,27H,16-17,19-20H2,1-2H3,(H,29,34)(H,30,33)/t25-/m0/s1
InChIKeyLPDYXAYFIBLYGP-VWLOTQADSA-N
MW456.59 g/mol
LogP3.24
Rot. Bonds7

About 3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide

3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide (PubChem CID 129456366) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
PubChem CID129456366
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc([C@@H]2CN(CC(=O)NC(c3ccccc3)c3ccccc3)CCN2C)c1
InChIInChI=1S/C28H32N4O2/c1-29-28(34)24-15-9-14-23(18-24)25-19-32(17-16-31(25)2)20-26(33)30-27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,27H,16-17,19-20H2,1-2H3,(H,29,34)(H,30,33)/t25-/m0/s1
InChIKeyLPDYXAYFIBLYGP-VWLOTQADSA-N
XLogP3.24
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide 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

3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110258018
3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 95826819
N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide
CID 125001060
3-[(2R)-4-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 129459345
3-[4-[2-(3-chloro-4-morpholin-4-ylanilino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110122298
3-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110122390
3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 125007656
N-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide
CID 124984397
N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide
CID 110258484
N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2681889
formic acid;N-methyl-3-[1-methyl-4-[(3-methyl-2-pyridinyl)methyl]piperazin-2-yl]benzamide
CID 171688369
N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide
CID 124942684

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide?
The IUPAC name of 3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide (CID 129456366) is 3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide is CNC(=O)c1cccc([C@@H]2CN(CC(=O)NC(c3ccccc3)c3ccccc3)CCN2C)c1.
What is the InChIKey of 3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide?
The InChIKey is LPDYXAYFIBLYGP-VWLOTQADSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-29-28(34)24-15-9-14-23(18-24)25-19-32(17-16-31(25)2)20-26(33)30-27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,27H,16-17,19-20H2,1-2H3,(H,29,34)(H,30,33)/t25-/m0/s1.
What are the key properties of 3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide?
3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide has a molecular weight of 456.59 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide is sourced from PubChem (CID 129456366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).