[2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride

C18H28Cl2N4O2 — CID 154916328

IUPAC[2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(c1cccnc1NC1COC2(CCNCC2)C1)N1CCCC1
InChIInChI=1S/C18H26N4O2.2ClH/c23-17(22-10-1-2-11-22)15-4-3-7-20-16(15)21-14-12-18(24-13-14)5-8-19-9-6-18;;/h3-4,7,14,19H,1-2,5-6,8-13H2,(H,20,21);2*1H
InChIKeyCLNQJWFYPSDMGL-UHFFFAOYSA-N
MW403.35 g/mol
LogP2.48
Rot. Bonds3

About [2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride

[2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride (PubChem CID 154916328) has the molecular formula C18H28Cl2N4O2 and a molecular weight of 403.35 g/mol. Its IUPAC name is [2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride
PubChem CID154916328
Molecular FormulaC18H28Cl2N4O2
Molecular Weight403.35 g/mol
Exact Mass402.16
IUPAC Name[2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(c1cccnc1NC1COC2(CCNCC2)C1)N1CCCC1
InChIInChI=1S/C18H26N4O2.2ClH/c23-17(22-10-1-2-11-22)15-4-3-7-20-16(15)21-14-12-18(24-13-14)5-8-19-9-6-18;;/h3-4,7,14,19H,1-2,5-6,8-13H2,(H,20,21);2*1H
InChIKeyCLNQJWFYPSDMGL-UHFFFAOYSA-N
XLogP2.48
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride?
The IUPAC name of [2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride (CID 154916328) is [2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride.
What is the SMILES notation for [2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride?
The canonical SMILES for [2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride is Cl.Cl.O=C(c1cccnc1NC1COC2(CCNCC2)C1)N1CCCC1.
What is the InChIKey of [2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride?
The InChIKey is CLNQJWFYPSDMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.2ClH/c23-17(22-10-1-2-11-22)15-4-3-7-20-16(15)21-14-12-18(24-13-14)5-8-19-9-6-18;;/h3-4,7,14,19H,1-2,5-6,8-13H2,(H,20,21);2*1H.
What are the key properties of [2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride?
[2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride has a molecular weight of 403.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride is sourced from PubChem (CID 154916328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).