N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C25H28N4O — CID 17412124

IUPACN-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N4O/c30-25(20-28-15-17-29(18-16-28)24-13-7-8-14-26-24)27-23(22-11-5-2-6-12-22)19-21-9-3-1-4-10-21/h1-14,23H,15-20H2,(H,27,30)
InChIKeyYGGOEJOXWCCGPB-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.30
Rot. Bonds7

About N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 17412124) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID17412124
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N4O/c30-25(20-28-15-17-29(18-16-28)24-13-7-8-14-26-24)27-23(22-11-5-2-6-12-22)19-21-9-3-1-4-10-21/h1-14,23H,15-20H2,(H,27,30)
InChIKeyYGGOEJOXWCCGPB-UHFFFAOYSA-N
XLogP3.30
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-3-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoate
CID 8620452
N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24596362
N-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
CID 86959598
(2S)-3-phenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propanoylamino]propanoic acid
CID 119366582
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8546590
N-(1-methoxypropan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 51199549
N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 17470308
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43509569
N-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
CID 119616508
3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide
CID 86910705
2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid
CID 154746178
methyl (2S,3R)-3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanoate
CID 8617314

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 17412124) is N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccn2)CC1)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is YGGOEJOXWCCGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c30-25(20-28-15-17-29(18-16-28)24-13-7-8-14-26-24)27-23(22-11-5-2-6-12-22)19-21-9-3-1-4-10-21/h1-14,23H,15-20H2,(H,27,30).
What are the key properties of N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 400.53 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 17412124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).