4-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide

C20H28N4O3 — CID 110813101

IUPAC4-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)Cc2ccc3c(c2)C(C)(C)C(=O)N3)CC1
InChIInChI=1S/C20H28N4O3/c1-4-7-21-19(27)24-10-8-23(9-11-24)17(25)13-14-5-6-16-15(12-14)20(2,3)18(26)22-16/h5-6,12H,4,7-11,13H2,1-3H3,(H,21,27)(H,22,26)
InChIKeyDLCFDLCJIWHTDP-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.72
Rot. Bonds4

About 4-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide

4-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide (PubChem CID 110813101) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide
PubChem CID110813101
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name4-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)Cc2ccc3c(c2)C(C)(C)C(=O)N3)CC1
InChIInChI=1S/C20H28N4O3/c1-4-7-21-19(27)24-10-8-23(9-11-24)17(25)13-14-5-6-16-15(12-14)20(2,3)18(26)22-16/h5-6,12H,4,7-11,13H2,1-3H3,(H,21,27)(H,22,26)
InChIKeyDLCFDLCJIWHTDP-UHFFFAOYSA-N
XLogP1.72
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one
CID 110770924
5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one
CID 110801562
3,3-dimethyl-5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one
CID 110804618
4-[2-(4-fluorophenyl)acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 110811568
4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110812994
4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110813172
4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110811012
4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide
CID 110421794
3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one
CID 82484213
2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177006
(3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 129369255
4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110812997

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide (CID 110813101) is 4-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)Cc2ccc3c(c2)C(C)(C)C(=O)N3)CC1.
What is the InChIKey of 4-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is DLCFDLCJIWHTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-4-7-21-19(27)24-10-8-23(9-11-24)17(25)13-14-5-6-16-15(12-14)20(2,3)18(26)22-16/h5-6,12H,4,7-11,13H2,1-3H3,(H,21,27)(H,22,26).
What are the key properties of 4-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide?
4-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110813101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).