[(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol

C22H33N3O2 — CID 91910139

IUPAC[(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCCn1cc(CN2CCC([C@@H]3CNC[C@H]3CO)CC2)c2cc(OC)ccc21
InChIInChI=1S/C22H33N3O2/c1-3-25-14-18(20-10-19(27-2)4-5-22(20)25)13-24-8-6-16(7-9-24)21-12-23-11-17(21)15-26/h4-5,10,14,16-17,21,23,26H,3,6-9,11-13,15H2,1-2H3/t17-,21-/m0/s1
InChIKeyGTDZBYXCBBNBOT-UWJYYQICSA-N
MW371.53 g/mol
LogP2.71
Rot. Bonds6

About [(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol

[(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 91910139) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is [(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol
PubChem CID91910139
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name[(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCCn1cc(CN2CCC([C@@H]3CNC[C@H]3CO)CC2)c2cc(OC)ccc21
InChIInChI=1S/C22H33N3O2/c1-3-25-14-18(20-10-19(27-2)4-5-22(20)25)13-24-8-6-16(7-9-24)21-12-23-11-17(21)15-26/h4-5,10,14,16-17,21,23,26H,3,6-9,11-13,15H2,1-2H3/t17-,21-/m0/s1
InChIKeyGTDZBYXCBBNBOT-UWJYYQICSA-N
XLogP2.71
TPSA49.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 92589969
azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone
CID 53117764
1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide
CID 95088469
1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53117767
N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide
CID 53117776
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide
CID 20974080
1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole
CID 117185174
3-[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 92625171
1-ethyl-3-(piperazin-1-ylmethyl)indol-5-amine
CID 117175487
(1R,5S)-3-[(1-ethyl-5-methoxyindol-3-yl)methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 92589967
1-[4-[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 163336860
3-(azepan-1-ylmethyl)-1-ethylindol-5-ol
CID 117175480

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol (CID 91910139) is [(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol is CCn1cc(CN2CCC([C@@H]3CNC[C@H]3CO)CC2)c2cc(OC)ccc21.
What is the InChIKey of [(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol?
The InChIKey is GTDZBYXCBBNBOT-UWJYYQICSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-3-25-14-18(20-10-19(27-2)4-5-22(20)25)13-24-8-6-16(7-9-24)21-12-23-11-17(21)15-26/h4-5,10,14,16-17,21,23,26H,3,6-9,11-13,15H2,1-2H3/t17-,21-/m0/s1.
What are the key properties of [(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol?
[(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 371.53 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 91910139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).