ethyl 4-hydroxy-4-[[(3S)-3-(2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate

C21H29N3O4 — CID 71528088

IUPACethyl 4-hydroxy-4-[[(3S)-3-(2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(CN2CC[C@H](N3C(=O)Cc4ccccc43)C2)CC1
InChIInChI=1S/C21H29N3O4/c1-2-28-20(26)23-11-8-21(27,9-12-23)15-22-10-7-17(14-22)24-18-6-4-3-5-16(18)13-19(24)25/h3-6,17,27H,2,7-15H2,1H3/t17-/m0/s1
InChIKeyUNDGBOSCPSZNOO-KRWDZBQOSA-N
MW387.48 g/mol
LogP1.63
Rot. Bonds4

About ethyl 4-hydroxy-4-[[(3S)-3-(2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate

ethyl 4-hydroxy-4-[[(3S)-3-(2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate (PubChem CID 71528088) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is ethyl 4-hydroxy-4-[[(3S)-3-(2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-4-[[(3S)-3-(2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
PubChem CID71528088
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Nameethyl 4-hydroxy-4-[[(3S)-3-(2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(CN2CC[C@H](N3C(=O)Cc4ccccc43)C2)CC1
InChIInChI=1S/C21H29N3O4/c1-2-28-20(26)23-11-8-21(27,9-12-23)15-22-10-7-17(14-22)24-18-6-4-3-5-16(18)13-19(24)25/h3-6,17,27H,2,7-15H2,1H3/t17-/m0/s1
InChIKeyUNDGBOSCPSZNOO-KRWDZBQOSA-N
XLogP1.63
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-hydroxy-4-[[(3S)-3-(2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

CID 71527981
CID 71527981
CID 71528087
CID 71528087
CID 71719475
CID 71719475
CID 42602878
CID 42602878
CID 19772625
CID 19772625
CID 56832561
CID 56832561
CID 71527978
CID 71527978
CID 71527980
CID 71527980
CID 71527979
CID 71527979
CID 71528089
CID 71528089
CID 110108280
CID 110108280
CID 162670325
CID 162670325

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-4-[[(3S)-3-(2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-hydroxy-4-[[(3S)-3-(2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate (CID 71528088) is ethyl 4-hydroxy-4-[[(3S)-3-(2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-4-[[(3S)-3-(2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-4-[[(3S)-3-(2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(O)(CN2CC[C@H](N3C(=O)Cc4ccccc43)C2)CC1.
What is the InChIKey of ethyl 4-hydroxy-4-[[(3S)-3-(2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate?
The InChIKey is UNDGBOSCPSZNOO-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-2-28-20(26)23-11-8-21(27,9-12-23)15-22-10-7-17(14-22)24-18-6-4-3-5-16(18)13-19(24)25/h3-6,17,27H,2,7-15H2,1H3/t17-/m0/s1.
What are the key properties of ethyl 4-hydroxy-4-[[(3S)-3-(2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate?
ethyl 4-hydroxy-4-[[(3S)-3-(2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-4-[[(3S)-3-(2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 71528088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).