2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one

C20H23N3O3 — CID 158527026

IUPAC2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
SMILESO=C1NC2(CO1)CC(C(=O)N1CCC(c3cc4ccccc4[nH]3)CC1)C2
InChIInChI=1S/C20H23N3O3/c24-18(15-10-20(11-15)12-26-19(25)22-20)23-7-5-13(6-8-23)17-9-14-3-1-2-4-16(14)21-17/h1-4,9,13,15,21H,5-8,10-12H2,(H,22,25)
InChIKeyHMXFNMIEHLMWSW-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.76
Rot. Bonds2

About 2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one

2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one (PubChem CID 158527026) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
PubChem CID158527026
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
SMILESO=C1NC2(CO1)CC(C(=O)N1CCC(c3cc4ccccc4[nH]3)CC1)C2
InChIInChI=1S/C20H23N3O3/c24-18(15-10-20(11-15)12-26-19(25)22-20)23-7-5-13(6-8-23)17-9-14-3-1-2-4-16(14)21-17/h1-4,9,13,15,21H,5-8,10-12H2,(H,22,25)
InChIKeyHMXFNMIEHLMWSW-UHFFFAOYSA-N
XLogP2.76
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
The IUPAC name of 2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one (CID 158527026) is 2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one is O=C1NC2(CO1)CC(C(=O)N1CCC(c3cc4ccccc4[nH]3)CC1)C2.
What is the InChIKey of 2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
The InChIKey is HMXFNMIEHLMWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-18(15-10-20(11-15)12-26-19(25)22-20)23-7-5-13(6-8-23)17-9-14-3-1-2-4-16(14)21-17/h1-4,9,13,15,21H,5-8,10-12H2,(H,22,25).
What are the key properties of 2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one has a molecular weight of 353.42 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 158527026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).