3-(cyclopropylmethoxy)-1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane

C24H37N3O2 — CID 91911224

IUPAC3-(cyclopropylmethoxy)-1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane
SMILESCOc1cccc(CN2CCC(N3CC(OCC4CC4)C34CCCCC4)CC2)n1
InChIInChI=1S/C24H37N3O2/c1-28-23-7-5-6-20(25-23)16-26-14-10-21(11-15-26)27-17-22(29-18-19-8-9-19)24(27)12-3-2-4-13-24/h5-7,19,21-22H,2-4,8-18H2,1H3
InChIKeyXVTRWMPDAIGFQB-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.87
Rot. Bonds7

About 3-(cyclopropylmethoxy)-1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane

3-(cyclopropylmethoxy)-1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane (PubChem CID 91911224) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane
PubChem CID91911224
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name3-(cyclopropylmethoxy)-1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane
SMILESCOc1cccc(CN2CCC(N3CC(OCC4CC4)C34CCCCC4)CC2)n1
InChIInChI=1S/C24H37N3O2/c1-28-23-7-5-6-20(25-23)16-26-14-10-21(11-15-26)27-17-22(29-18-19-8-9-19)24(27)12-3-2-4-13-24/h5-7,19,21-22H,2-4,8-18H2,1H3
InChIKeyXVTRWMPDAIGFQB-UHFFFAOYSA-N
XLogP3.87
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(cyclopropylmethoxy)-1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane with MolForge

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Related Compounds

N-[(6-methoxy-2-pyridinyl)methyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325487
Jussiaeiine D
CID 638704
US10233152, Example 114
CID 129279636
US10927128, Example 47
CID 135332791
2-(2-Methoxyphenyl)-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine
CID 110249868
1-(3-Fluorophenyl)-3-methoxy-7-[(6-methoxy-2-pyridyl)methyl]-1,7-diazaspiro[3.5]nonane
CID 124048419
9-[(6-Methoxy-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 110196171
3-Methoxy-7-[(6-methoxy-2-pyridinyl)methyl]-7-azaspiro[3.5]nonane
CID 110197979
(3R,4S)-1-isopropyl-3-methoxy-4-{1-[(6-methoxy-2-pyridyl)methyl]-4-piperidyl}azetan-2-one
CID 124048684
2-Methoxy-6-[(1-methylpiperidin-3-yl)methyl]pyridine
CID 101453043
2-[1-[(3S)-1-benzylpiperidin-3-yl]piperidin-4-yl]oxy-6-methylpyridine
CID 97306930
1-(4-{[4-({Cyclopropyl[(6-methoxypyridin-2-YL)methyl]amino}methyl)phenyl]methyl}piperidin-1-YL)ethan-1-one
CID 124047746

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane?
The IUPAC name of 3-(cyclopropylmethoxy)-1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane (CID 91911224) is 3-(cyclopropylmethoxy)-1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane.
What is the SMILES notation for 3-(cyclopropylmethoxy)-1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane?
The canonical SMILES for 3-(cyclopropylmethoxy)-1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane is COc1cccc(CN2CCC(N3CC(OCC4CC4)C34CCCCC4)CC2)n1.
What is the InChIKey of 3-(cyclopropylmethoxy)-1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane?
The InChIKey is XVTRWMPDAIGFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-28-23-7-5-6-20(25-23)16-26-14-10-21(11-15-26)27-17-22(29-18-19-8-9-19)24(27)12-3-2-4-13-24/h5-7,19,21-22H,2-4,8-18H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane?
3-(cyclopropylmethoxy)-1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane has a molecular weight of 399.58 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane is sourced from PubChem (CID 91911224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).