2-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile

C26H26N4O — CID 10092996

IUPAC2-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile
SMILESCC(C#N)(c1cccnc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H26N4O/c1-26(20-27,23-13-8-14-28-19-23)30-17-15-29(16-18-30)25(31)24(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,24H,15-18H2,1H3
InChIKeyFIVIVGVDQOVQOF-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.80
Rot. Bonds5

About 2-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile

2-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile (PubChem CID 10092996) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile.

Molecular Properties

Compound Name2-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile
PubChem CID10092996
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name2-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile
SMILESCC(C#N)(c1cccnc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H26N4O/c1-26(20-27,23-13-8-14-28-19-23)30-17-15-29(16-18-30)25(31)24(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,24H,15-18H2,1H3
InChIKeyFIVIVGVDQOVQOF-UHFFFAOYSA-N
XLogP3.80
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid
CID 116824819
1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one
CID 18715054
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
(2S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 71720882
tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 16617188
2,2-diphenyl-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108544412
tert-butyl N-[(1S)-2-[4-[cyano(pyridin-3-yl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 22853652
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3636025
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
2-[4-(2-benzyl-3-phenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride
CID 90664768
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 110818280

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile?
The IUPAC name of 2-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile (CID 10092996) is 2-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile.
What is the SMILES notation for 2-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile?
The canonical SMILES for 2-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile is CC(C#N)(c1cccnc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile?
The InChIKey is FIVIVGVDQOVQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-26(20-27,23-13-8-14-28-19-23)30-17-15-29(16-18-30)25(31)24(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,24H,15-18H2,1H3.
What are the key properties of 2-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile?
2-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile has a molecular weight of 410.52 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile is sourced from PubChem (CID 10092996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).