2-(4-cyanophenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide

C23H25N5O2 — CID 86959094

IUPAC2-(4-cyanophenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESN#Cc1ccc(C(C(N)=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C23H25N5O2/c24-15-17-5-7-19(8-6-17)22(23(25)30)27-13-11-26(12-14-27)16-21(29)28-10-9-18-3-1-2-4-20(18)28/h1-8,22H,9-14,16H2,(H2,25,30)
InChIKeyVPKCWLTWMXNRGD-UHFFFAOYSA-N
MW403.49 g/mol
LogP1.29
Rot. Bonds5

About 2-(4-cyanophenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide

2-(4-cyanophenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 86959094) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID86959094
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name2-(4-cyanophenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESN#Cc1ccc(C(C(N)=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C23H25N5O2/c24-15-17-5-7-19(8-6-17)22(23(25)30)27-13-11-26(12-14-27)16-21(29)28-10-9-18-3-1-2-4-20(18)28/h1-8,22H,9-14,16H2,(H2,25,30)
InChIKeyVPKCWLTWMXNRGD-UHFFFAOYSA-N
XLogP1.29
TPSA93.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 119134857
2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride
CID 120669812
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide
CID 87017413
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133374204
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9207032
methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95637304
1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one
CID 55960141
(2S)-2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119857356
N-(4-butan-2-ylphenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 78899808
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-(4-cyanophenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide (CID 86959094) is 2-(4-cyanophenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide is N#Cc1ccc(C(C(N)=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is VPKCWLTWMXNRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c24-15-17-5-7-19(8-6-17)22(23(25)30)27-13-11-26(12-14-27)16-21(29)28-10-9-18-3-1-2-4-20(18)28/h1-8,22H,9-14,16H2,(H2,25,30).
What are the key properties of 2-(4-cyanophenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
2-(4-cyanophenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 403.49 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 86959094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).