4-[4-(1H-indol-4-yloxy)piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one

C23H29N3O4 — CID 126951467

IUPAC4-[4-(1H-indol-4-yloxy)piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCOCC2)C1)N1CCC(Oc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C23H29N3O4/c27-22-14-16(15-26(22)17-7-12-29-13-8-17)23(28)25-10-5-18(6-11-25)30-21-3-1-2-20-19(21)4-9-24-20/h1-4,9,16-18,24H,5-8,10-15H2
InChIKeyYEUGSCDAJSUJDU-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.57
Rot. Bonds4

About 4-[4-(1H-indol-4-yloxy)piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one

4-[4-(1H-indol-4-yloxy)piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one (PubChem CID 126951467) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-[4-(1H-indol-4-yloxy)piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(1H-indol-4-yloxy)piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
PubChem CID126951467
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name4-[4-(1H-indol-4-yloxy)piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCOCC2)C1)N1CCC(Oc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C23H29N3O4/c27-22-14-16(15-26(22)17-7-12-29-13-8-17)23(28)25-10-5-18(6-11-25)30-21-3-1-2-20-19(21)4-9-24-20/h1-4,9,16-18,24H,5-8,10-15H2
InChIKeyYEUGSCDAJSUJDU-UHFFFAOYSA-N
XLogP2.57
TPSA74.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone
CID 126951435
(4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 97112468
1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167
(4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 100612118
4-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
CID 90567956
ethyl 4-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 90567791
[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone
CID 126951816
4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951709
2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate
CID 68843107
4-[7-(furan-2-yl)-1,4-thiazepane-4-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 90632371
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol
CID 126951743
4-[3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 122259056

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indol-4-yloxy)piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(1H-indol-4-yloxy)piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one (CID 126951467) is 4-[4-(1H-indol-4-yloxy)piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(1H-indol-4-yloxy)piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(1H-indol-4-yloxy)piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one is O=C(C1CC(=O)N(C2CCOCC2)C1)N1CCC(Oc2cccc3[nH]ccc23)CC1.
What is the InChIKey of 4-[4-(1H-indol-4-yloxy)piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one?
The InChIKey is YEUGSCDAJSUJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c27-22-14-16(15-26(22)17-7-12-29-13-8-17)23(28)25-10-5-18(6-11-25)30-21-3-1-2-20-19(21)4-9-24-20/h1-4,9,16-18,24H,5-8,10-15H2.
What are the key properties of 4-[4-(1H-indol-4-yloxy)piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one?
4-[4-(1H-indol-4-yloxy)piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one has a molecular weight of 411.50 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indol-4-yloxy)piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 126951467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).