N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide

C22H29N3O — CID 125175804

IUPACN-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-24-14-16-25(17-15-24)13-12-22(26)23-21(20-10-6-3-7-11-20)18-19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3,(H,23,26)/t21-/m1/s1
InChIKeyLCDGWLADGLTCHO-OAQYLSRUSA-N
MW351.49 g/mol
LogP2.72
Rot. Bonds7

About N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide

N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 125175804) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID125175804
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-24-14-16-25(17-15-24)13-12-22(26)23-21(20-10-6-3-7-11-20)18-19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3,(H,23,26)/t21-/m1/s1
InChIKeyLCDGWLADGLTCHO-OAQYLSRUSA-N
XLogP2.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

formic acid;(2S)-2-[3-(4-methylpiperazin-1-yl)propanoylamino]-3-phenylpropanoic acid
CID 154906123
N-[(1R)-2-hydroxy-1-phenylethyl]-3-pyrrolidin-1-ylpropanamide
CID 103944653
N-(1,2-diphenylethyl)pentanamide
CID 134014505
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide
CID 95149857
3-[3-(azepan-1-yl)propanoylamino]-3-phenylpropanoic acid
CID 53215587
N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24596362
N-(1,2-diphenylethyl)-4-(methylamino)butanamide
CID 119689852
N-(1,2-diphenylethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 75855427
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 33177312
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-pyrrolidin-1-ylpropanamide
CID 107861397
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide (CID 125175804) is N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide is CN1CCN(CCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is LCDGWLADGLTCHO-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29N3O/c1-24-14-16-25(17-15-24)13-12-22(26)23-21(20-10-6-3-7-11-20)18-19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3,(H,23,26)/t21-/m1/s1.
What are the key properties of N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide?
N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 351.49 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 125175804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).