12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride

C20H30ClN3O2 — CID 162315070

IUPAC12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride
SMILESCCN1CC2(CCN(CCc3ncccc3C)CC2)OC2(CC2)C1=O.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-3-23-15-19(25-20(7-8-20)18(23)24)9-13-22(14-10-19)12-6-17-16(2)5-4-11-21-17;/h4-5,11H,3,6-10,12-15H2,1-2H3;1H
InChIKeyHGYUNPYHIRDNMU-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.60
Rot. Bonds4

About 12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride

12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride (PubChem CID 162315070) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride.

Molecular Properties

Compound Name12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride
PubChem CID162315070
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride
SMILESCCN1CC2(CCN(CCc3ncccc3C)CC2)OC2(CC2)C1=O.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-3-23-15-19(25-20(7-8-20)18(23)24)9-13-22(14-10-19)12-6-17-16(2)5-4-11-21-17;/h4-5,11H,3,6-10,12-15H2,1-2H3;1H
InChIKeyHGYUNPYHIRDNMU-UHFFFAOYSA-N
XLogP2.60
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride?
The IUPAC name of 12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride (CID 162315070) is 12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride.
What is the SMILES notation for 12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride?
The canonical SMILES for 12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride is CCN1CC2(CCN(CCc3ncccc3C)CC2)OC2(CC2)C1=O.Cl.
What is the InChIKey of 12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride?
The InChIKey is HGYUNPYHIRDNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-3-23-15-19(25-20(7-8-20)18(23)24)9-13-22(14-10-19)12-6-17-16(2)5-4-11-21-17;/h4-5,11H,3,6-10,12-15H2,1-2H3;1H.
What are the key properties of 12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride?
12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride is sourced from PubChem (CID 162315070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).