(1-methoxycarbonylpiperidin-4-yl) (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate

C19H23N3O5 — CID 71450318

IUPAC(1-methoxycarbonylpiperidin-4-yl) (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
SMILESCOC(=O)N1CCC(OC(=O)[C@H]2C[C@]3(CN2)C(=O)Nc2ccccc23)CC1
InChIInChI=1S/C19H23N3O5/c1-26-18(25)22-8-6-12(7-9-22)27-16(23)15-10-19(11-20-15)13-4-2-3-5-14(13)21-17(19)24/h2-5,12,15,20H,6-11H2,1H3,(H,21,24)/t15-,19-/m1/s1
InChIKeyJEZDEWSDZRFQQT-DNVCBOLYSA-N
MW373.41 g/mol
LogP1.01
Rot. Bonds2

About (1-methoxycarbonylpiperidin-4-yl) (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate

(1-methoxycarbonylpiperidin-4-yl) (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate (PubChem CID 71450318) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is (1-methoxycarbonylpiperidin-4-yl) (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate.

Molecular Properties

Compound Name(1-methoxycarbonylpiperidin-4-yl) (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
PubChem CID71450318
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name(1-methoxycarbonylpiperidin-4-yl) (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
SMILESCOC(=O)N1CCC(OC(=O)[C@H]2C[C@]3(CN2)C(=O)Nc2ccccc23)CC1
InChIInChI=1S/C19H23N3O5/c1-26-18(25)22-8-6-12(7-9-22)27-16(23)15-10-19(11-20-15)13-4-2-3-5-14(13)21-17(19)24/h2-5,12,15,20H,6-11H2,1H3,(H,21,24)/t15-,19-/m1/s1
InChIKeyJEZDEWSDZRFQQT-DNVCBOLYSA-N
XLogP1.01
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methoxycarbonylpiperidin-4-yl) (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
The IUPAC name of (1-methoxycarbonylpiperidin-4-yl) (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate (CID 71450318) is (1-methoxycarbonylpiperidin-4-yl) (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate.
What is the SMILES notation for (1-methoxycarbonylpiperidin-4-yl) (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
The canonical SMILES for (1-methoxycarbonylpiperidin-4-yl) (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate is COC(=O)N1CCC(OC(=O)[C@H]2C[C@]3(CN2)C(=O)Nc2ccccc23)CC1.
What is the InChIKey of (1-methoxycarbonylpiperidin-4-yl) (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
The InChIKey is JEZDEWSDZRFQQT-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-26-18(25)22-8-6-12(7-9-22)27-16(23)15-10-19(11-20-15)13-4-2-3-5-14(13)21-17(19)24/h2-5,12,15,20H,6-11H2,1H3,(H,21,24)/t15-,19-/m1/s1.
What are the key properties of (1-methoxycarbonylpiperidin-4-yl) (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
(1-methoxycarbonylpiperidin-4-yl) (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycarbonylpiperidin-4-yl) (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate is sourced from PubChem (CID 71450318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).