1-(3-methoxypropyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane

C19H31N3O2 — CID 97396927

IUPAC1-(3-methoxypropyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCOCCCN1CCCC12CCN(Cc1cccnc1OC)CC2
InChIInChI=1S/C19H31N3O2/c1-23-15-5-12-22-11-4-7-19(22)8-13-21(14-9-19)16-17-6-3-10-20-18(17)24-2/h3,6,10H,4-5,7-9,11-16H2,1-2H3
InChIKeyMIDRBMJIWNZRJV-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.56
Rot. Bonds7

About 1-(3-methoxypropyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane

1-(3-methoxypropyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane (PubChem CID 97396927) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-(3-methoxypropyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane
PubChem CID97396927
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-(3-methoxypropyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCOCCCN1CCCC12CCN(Cc1cccnc1OC)CC2
InChIInChI=1S/C19H31N3O2/c1-23-15-5-12-22-11-4-7-19(22)8-13-21(14-9-19)16-17-6-3-10-20-18(17)24-2/h3,6,10H,4-5,7-9,11-16H2,1-2H3
InChIKeyMIDRBMJIWNZRJV-UHFFFAOYSA-N
XLogP2.56
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-(3-methoxypropyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane (CID 97396927) is 1-(3-methoxypropyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-(3-methoxypropyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-(3-methoxypropyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane is COCCCN1CCCC12CCN(Cc1cccnc1OC)CC2.
What is the InChIKey of 1-(3-methoxypropyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane?
The InChIKey is MIDRBMJIWNZRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-23-15-5-12-22-11-4-7-19(22)8-13-21(14-9-19)16-17-6-3-10-20-18(17)24-2/h3,6,10H,4-5,7-9,11-16H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane?
1-(3-methoxypropyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane has a molecular weight of 333.48 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97396927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).