(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane

C20H31N3O — CID 97474938

IUPAC(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
SMILESCN1[C@@H](COCC2CC2)CCC12CCN(Cc1ccncc1)CC2
InChIInChI=1S/C20H31N3O/c1-22-19(16-24-15-18-2-3-18)4-7-20(22)8-12-23(13-9-20)14-17-5-10-21-11-6-17/h5-6,10-11,18-19H,2-4,7-9,12-16H2,1H3/t19-/m1/s1
InChIKeyCDTOBHZCEGTWOH-LJQANCHMSA-N
MW329.49 g/mol
LogP2.94
Rot. Bonds6

About (2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane

(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane (PubChem CID 97474938) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is (2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
PubChem CID97474938
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
SMILESCN1[C@@H](COCC2CC2)CCC12CCN(Cc1ccncc1)CC2
InChIInChI=1S/C20H31N3O/c1-22-19(16-24-15-18-2-3-18)4-7-20(22)8-12-23(13-9-20)14-17-5-10-21-11-6-17/h5-6,10-11,18-19H,2-4,7-9,12-16H2,1H3/t19-/m1/s1
InChIKeyCDTOBHZCEGTWOH-LJQANCHMSA-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

Analyze (2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 133140531
[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 133142880
(2S)-2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97474957
1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 131655535
2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 131648763
8-[(3,4-difluorophenyl)methyl]-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane
CID 131660834
[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone
CID 131650087
[(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
CID 97477256
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556
1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane
CID 97412786
2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine
CID 165434594
2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131661990

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane?
The IUPAC name of (2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane (CID 97474938) is (2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for (2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane?
The canonical SMILES for (2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane is CN1[C@@H](COCC2CC2)CCC12CCN(Cc1ccncc1)CC2.
What is the InChIKey of (2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane?
The InChIKey is CDTOBHZCEGTWOH-LJQANCHMSA-N. The full InChI is InChI=1S/C20H31N3O/c1-22-19(16-24-15-18-2-3-18)4-7-20(22)8-12-23(13-9-20)14-17-5-10-21-11-6-17/h5-6,10-11,18-19H,2-4,7-9,12-16H2,1H3/t19-/m1/s1.
What are the key properties of (2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane?
(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-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 (2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97474938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).