3-ethylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,4'-piperidine]-4-carboxamide

C17H20N4O2 — CID 126638329

IUPAC3-ethylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,4'-piperidine]-4-carboxamide
SMILESCCn1c(C(N)=O)cc2c1-c1ccncc1OC21CCNCC1
InChIInChI=1S/C17H20N4O2/c1-2-21-13(16(18)22)9-12-15(21)11-3-6-20-10-14(11)23-17(12)4-7-19-8-5-17/h3,6,9-10,19H,2,4-5,7-8H2,1H3,(H2,18,22)
InChIKeyLMVYGYMGJZTISD-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.64
Rot. Bonds2

About 3-ethylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,4'-piperidine]-4-carboxamide

3-ethylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,4'-piperidine]-4-carboxamide (PubChem CID 126638329) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-ethylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,4'-piperidine]-4-carboxamide.

Molecular Properties

Compound Name3-ethylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,4'-piperidine]-4-carboxamide
PubChem CID126638329
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-ethylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,4'-piperidine]-4-carboxamide
SMILESCCn1c(C(N)=O)cc2c1-c1ccncc1OC21CCNCC1
InChIInChI=1S/C17H20N4O2/c1-2-21-13(16(18)22)9-12-15(21)11-3-6-20-10-14(11)23-17(12)4-7-19-8-5-17/h3,6,9-10,19H,2,4-5,7-8H2,1H3,(H2,18,22)
InChIKeyLMVYGYMGJZTISD-UHFFFAOYSA-N
XLogP1.64
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,4'-piperidine]-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,4'-piperidine]-4-carboxamide?
The IUPAC name of 3-ethylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,4'-piperidine]-4-carboxamide (CID 126638329) is 3-ethylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,4'-piperidine]-4-carboxamide.
What is the SMILES notation for 3-ethylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,4'-piperidine]-4-carboxamide?
The canonical SMILES for 3-ethylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,4'-piperidine]-4-carboxamide is CCn1c(C(N)=O)cc2c1-c1ccncc1OC21CCNCC1.
What is the InChIKey of 3-ethylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,4'-piperidine]-4-carboxamide?
The InChIKey is LMVYGYMGJZTISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-21-13(16(18)22)9-12-15(21)11-3-6-20-10-14(11)23-17(12)4-7-19-8-5-17/h3,6,9-10,19H,2,4-5,7-8H2,1H3,(H2,18,22).
What are the key properties of 3-ethylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,4'-piperidine]-4-carboxamide?
3-ethylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,4'-piperidine]-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,4'-piperidine]-4-carboxamide is sourced from PubChem (CID 126638329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).