2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane

C20H31N3O — CID 133140531

IUPAC2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
SMILESCN1C(COCC2CC2)CCC12CCN(Cc1cccnc1)CC2
InChIInChI=1S/C20H31N3O/c1-22-19(16-24-15-17-4-5-17)6-7-20(22)8-11-23(12-9-20)14-18-3-2-10-21-13-18/h2-3,10,13,17,19H,4-9,11-12,14-16H2,1H3
InChIKeyNFEYFVDNXODSSG-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.94
Rot. Bonds6

About 2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane

2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane (PubChem CID 133140531) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
PubChem CID133140531
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
SMILESCN1C(COCC2CC2)CCC12CCN(Cc1cccnc1)CC2
InChIInChI=1S/C20H31N3O/c1-22-19(16-24-15-17-4-5-17)6-7-20(22)8-11-23(12-9-20)14-18-3-2-10-21-13-18/h2-3,10,13,17,19H,4-9,11-12,14-16H2,1H3
InChIKeyNFEYFVDNXODSSG-UHFFFAOYSA-N
XLogP2.94
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97474938
1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 131655535
3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131663585
1-[3-(cyclopropylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155855914
[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone
CID 131650087
5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 131644582
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383358
2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine
CID 165434595
4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 91910522
[(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
CID 97477256
4-(methoxymethyl)-2,8-bis(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131678234

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane (CID 133140531) is 2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane is CN1C(COCC2CC2)CCC12CCN(Cc1cccnc1)CC2.
What is the InChIKey of 2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane?
The InChIKey is NFEYFVDNXODSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-22-19(16-24-15-17-4-5-17)6-7-20(22)8-11-23(12-9-20)14-18-3-2-10-21-13-18/h2-3,10,13,17,19H,4-9,11-12,14-16H2,1H3.
What are the key properties of 2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane?
2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane has a molecular weight of 329.49 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 133140531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).