1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone

C20H27N3O2 — CID 97235875

IUPAC1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc2cc[nH]c12)N1CC[C@H](OCCN2CCCCC2)C1
InChIInChI=1S/C20H27N3O2/c24-20(18-6-4-5-16-7-9-21-19(16)18)23-12-8-17(15-23)25-14-13-22-10-2-1-3-11-22/h4-7,9,17,21H,1-3,8,10-15H2/t17-/m0/s1
InChIKeyYBXVANCMPQZKOB-KRWDZBQOSA-N
MW341.45 g/mol
LogP2.88
Rot. Bonds5

About 1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone

1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone (PubChem CID 97235875) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone
PubChem CID97235875
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc2cc[nH]c12)N1CC[C@H](OCCN2CCCCC2)C1
InChIInChI=1S/C20H27N3O2/c24-20(18-6-4-5-16-7-9-21-19(16)18)23-12-8-17(15-23)25-14-13-22-10-2-1-3-11-22/h4-7,9,17,21H,1-3,8,10-15H2/t17-/m0/s1
InChIKeyYBXVANCMPQZKOB-KRWDZBQOSA-N
XLogP2.88
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate
CID 79035876
3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone
CID 115313973
isoquinolin-1-yl-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone
CID 71852203
(3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide
CID 96559322
(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone
CID 106671264
(4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone
CID 79879645
cyclopropane;[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(1H-indol-7-yl)methanone
CID 142015086
[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
CID 95866622
[2-(hydroxymethyl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 81208687
benzyl 3-(2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate
CID 67294156
1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone
CID 113244798
(2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone
CID 115661617

Frequently Asked Questions

What is the IUPAC name of 1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone (CID 97235875) is 1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone is O=C(c1cccc2cc[nH]c12)N1CC[C@H](OCCN2CCCCC2)C1.
What is the InChIKey of 1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone?
The InChIKey is YBXVANCMPQZKOB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-20(18-6-4-5-16-7-9-21-19(16)18)23-12-8-17(15-23)25-14-13-22-10-2-1-3-11-22/h4-7,9,17,21H,1-3,8,10-15H2/t17-/m0/s1.
What are the key properties of 1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone?
1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone has a molecular weight of 341.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97235875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).