(2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C22H32N4O2 — CID 166620952

IUPAC(2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)CN2CCN(CC)CC2)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C22H32N4O2/c1-3-7-19-22(17-8-5-6-9-18(17)23-21(22)28)10-11-26(19)20(27)16-25-14-12-24(4-2)13-15-25/h5-6,8-9,19H,3-4,7,10-16H2,1-2H3,(H,23,28)/t19-,22+/m0/s1
InChIKeyHHELIPBKBVRHHN-SIKLNZKXSA-N
MW384.52 g/mol
LogP1.91
Rot. Bonds5

About (2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166620952) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is (2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166620952
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name(2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)CN2CCN(CC)CC2)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C22H32N4O2/c1-3-7-19-22(17-8-5-6-9-18(17)23-21(22)28)10-11-26(19)20(27)16-25-14-12-24(4-2)13-15-25/h5-6,8-9,19H,3-4,7,10-16H2,1-2H3,(H,23,28)/t19-,22+/m0/s1
InChIKeyHHELIPBKBVRHHN-SIKLNZKXSA-N
XLogP1.91
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2'S,3R)-1'-(3-methylsulfonylpropanoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615313
methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate
CID 165421143
(2'S,3S)-1'-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613051
(2'S,3S)-2'-propyl-1'-(3-pyridin-4-ylpropanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618565
(2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165423546
(2'S,3S)-1'-(4-hydroxycyclohexanecarbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618240
formic acid;(2'S,3R)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171322196
(2'S,3R)-1'-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171322081
(2'S,3S)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618464
(2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612829
(2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165427079
(2'S,3R)-1'-(1-methyl-2-oxopyridine-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616803

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166620952) is (2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCC[C@@H]1N(C(=O)CN2CCN(CC)CC2)CC[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is HHELIPBKBVRHHN-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-3-7-19-22(17-8-5-6-9-18(17)23-21(22)28)10-11-26(19)20(27)16-25-14-12-24(4-2)13-15-25/h5-6,8-9,19H,3-4,7,10-16H2,1-2H3,(H,23,28)/t19-,22+/m0/s1.
What are the key properties of (2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 384.52 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166620952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).