propan-2-yl (3R)-3-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]pyrrolidine-1-carboxylate

C23H33N3O3 — CID 59433236

IUPACpropan-2-yl (3R)-3-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]pyrrolidine-1-carboxylate
SMILESCC(=O)N1CC2(CCN(C[C@H]3CCN(C(=O)OC(C)C)C3)CC2)c2ccccc21
InChIInChI=1S/C23H33N3O3/c1-17(2)29-22(28)25-11-8-19(15-25)14-24-12-9-23(10-13-24)16-26(18(3)27)21-7-5-4-6-20(21)23/h4-7,17,19H,8-16H2,1-3H3/t19-/m1/s1
InChIKeyOGIPBIVWERFDSY-LJQANCHMSA-N
MW399.54 g/mol
LogP3.25
Rot. Bonds3

About propan-2-yl (3R)-3-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]pyrrolidine-1-carboxylate

propan-2-yl (3R)-3-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]pyrrolidine-1-carboxylate (PubChem CID 59433236) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is propan-2-yl (3R)-3-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (3R)-3-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]pyrrolidine-1-carboxylate
PubChem CID59433236
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Namepropan-2-yl (3R)-3-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]pyrrolidine-1-carboxylate
SMILESCC(=O)N1CC2(CCN(C[C@H]3CCN(C(=O)OC(C)C)C3)CC2)c2ccccc21
InChIInChI=1S/C23H33N3O3/c1-17(2)29-22(28)25-11-8-19(15-25)14-24-12-9-23(10-13-24)16-26(18(3)27)21-7-5-4-6-20(21)23/h4-7,17,19H,8-16H2,1-3H3/t19-/m1/s1
InChIKeyOGIPBIVWERFDSY-LJQANCHMSA-N
XLogP3.25
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate
CID 24798473
2,2-difluoroethyl (3R)-3-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]pyrrolidine-1-carboxylate
CID 59433778
but-2-ynyl (3R)-3-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]pyrrolidine-1-carboxylate
CID 59433152
propyl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate
CID 24798472
but-2-ynyl (3S)-3-[(1-acetyl-4-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]pyrrolidine-1-carboxylate
CID 59433270
methyl 4-[(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
CID 59433666
ethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
CID 59433653
ethyl 4-[(1-acetyl-5-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
CID 59433734
1'-[[(3R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 24797303
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209
hex-2-ynyl (3S)-3-[[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate
CID 59433453
N,N-dimethyl-1'-[[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 24797304

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3R)-3-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of propan-2-yl (3R)-3-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]pyrrolidine-1-carboxylate (CID 59433236) is propan-2-yl (3R)-3-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for propan-2-yl (3R)-3-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for propan-2-yl (3R)-3-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]pyrrolidine-1-carboxylate is CC(=O)N1CC2(CCN(C[C@H]3CCN(C(=O)OC(C)C)C3)CC2)c2ccccc21.
What is the InChIKey of propan-2-yl (3R)-3-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is OGIPBIVWERFDSY-LJQANCHMSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-17(2)29-22(28)25-11-8-19(15-25)14-24-12-9-23(10-13-24)16-26(18(3)27)21-7-5-4-6-20(21)23/h4-7,17,19H,8-16H2,1-3H3/t19-/m1/s1.
What are the key properties of propan-2-yl (3R)-3-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]pyrrolidine-1-carboxylate?
propan-2-yl (3R)-3-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 399.54 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3R)-3-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 59433236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).