ethyl 4-[[(3S)-3-[(3R)-3-(hydroxymethyl)-3-methyl-2-oxoindol-1-yl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate

C23H33N3O4 — CID 71724516

IUPACethyl 4-[[(3S)-3-[(3R)-3-(hydroxymethyl)-3-methyl-2-oxoindol-1-yl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CC[C@H](N3C(=O)[C@@](C)(CO)c4ccccc43)C2)CC1
InChIInChI=1S/C23H33N3O4/c1-3-30-22(29)25-12-8-17(9-13-25)14-24-11-10-18(15-24)26-20-7-5-4-6-19(20)23(2,16-27)21(26)28/h4-7,17-18,27H,3,8-16H2,1-2H3/t18-,23-/m0/s1
InChIKeyHHXQSQWQUDWVNP-MBSDFSHPSA-N
MW415.53 g/mol
LogP2.23
Rot. Bonds5

About ethyl 4-[[(3S)-3-[(3R)-3-(hydroxymethyl)-3-methyl-2-oxoindol-1-yl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate

ethyl 4-[[(3S)-3-[(3R)-3-(hydroxymethyl)-3-methyl-2-oxoindol-1-yl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate (PubChem CID 71724516) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is ethyl 4-[[(3S)-3-[(3R)-3-(hydroxymethyl)-3-methyl-2-oxoindol-1-yl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(3S)-3-[(3R)-3-(hydroxymethyl)-3-methyl-2-oxoindol-1-yl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
PubChem CID71724516
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Nameethyl 4-[[(3S)-3-[(3R)-3-(hydroxymethyl)-3-methyl-2-oxoindol-1-yl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CC[C@H](N3C(=O)[C@@](C)(CO)c4ccccc43)C2)CC1
InChIInChI=1S/C23H33N3O4/c1-3-30-22(29)25-12-8-17(9-13-25)14-24-11-10-18(15-24)26-20-7-5-4-6-19(20)23(2,16-27)21(26)28/h4-7,17-18,27H,3,8-16H2,1-2H3/t18-,23-/m0/s1
InChIKeyHHXQSQWQUDWVNP-MBSDFSHPSA-N
XLogP2.23
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[(3S)-3-[(3R)-3-(hydroxymethyl)-3-methyl-2-oxoindol-1-yl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[(3R)-3-(5-fluoro-3-methyl-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 71724489
ethyl 4-[[(3R)-3-(2-oxo-3a,4-dihydro-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 163872722
ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 72544272
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one
CID 158694819
ethyl 4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidine-1-carboxylate
CID 119103137
ethyl 4-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]piperidine-1-carboxylate
CID 15181465
ethyl 4-(phenylsulfanylmethyl)piperidine-1-carboxylate
CID 110672480
ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate
CID 42148156
benzyl 4-[[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 176761023
ethyl 4-tritylpiperidine-1-carboxylate
CID 22911669
ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
CID 3469280

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(3S)-3-[(3R)-3-(hydroxymethyl)-3-methyl-2-oxoindol-1-yl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(3S)-3-[(3R)-3-(hydroxymethyl)-3-methyl-2-oxoindol-1-yl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate (CID 71724516) is ethyl 4-[[(3S)-3-[(3R)-3-(hydroxymethyl)-3-methyl-2-oxoindol-1-yl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(3S)-3-[(3R)-3-(hydroxymethyl)-3-methyl-2-oxoindol-1-yl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(3S)-3-[(3R)-3-(hydroxymethyl)-3-methyl-2-oxoindol-1-yl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(CN2CC[C@H](N3C(=O)[C@@](C)(CO)c4ccccc43)C2)CC1.
What is the InChIKey of ethyl 4-[[(3S)-3-[(3R)-3-(hydroxymethyl)-3-methyl-2-oxoindol-1-yl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate?
The InChIKey is HHXQSQWQUDWVNP-MBSDFSHPSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-3-30-22(29)25-12-8-17(9-13-25)14-24-11-10-18(15-24)26-20-7-5-4-6-19(20)23(2,16-27)21(26)28/h4-7,17-18,27H,3,8-16H2,1-2H3/t18-,23-/m0/s1.
What are the key properties of ethyl 4-[[(3S)-3-[(3R)-3-(hydroxymethyl)-3-methyl-2-oxoindol-1-yl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate?
ethyl 4-[[(3S)-3-[(3R)-3-(hydroxymethyl)-3-methyl-2-oxoindol-1-yl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate has a molecular weight of 415.53 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(3S)-3-[(3R)-3-(hydroxymethyl)-3-methyl-2-oxoindol-1-yl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 71724516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).