1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone

C22H32N2O2 — CID 131655535

IUPAC1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
SMILESCN1C(COCC2CC2)CCC12CCN(C(=O)Cc1ccccc1)CC2
InChIInChI=1S/C22H32N2O2/c1-23-20(17-26-16-19-7-8-19)9-10-22(23)11-13-24(14-12-22)21(25)15-18-5-3-2-4-6-18/h2-6,19-20H,7-17H2,1H3
InChIKeyCFTRKCMIGUBMST-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.11
Rot. Bonds6

About 1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone

1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone (PubChem CID 131655535) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
PubChem CID131655535
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
SMILESCN1C(COCC2CC2)CCC12CCN(C(=O)Cc1ccccc1)CC2
InChIInChI=1S/C22H32N2O2/c1-23-20(17-26-16-19-7-8-19)9-10-22(23)11-13-24(14-12-22)21(25)15-18-5-3-2-4-6-18/h2-6,19-20H,7-17H2,1H3
InChIKeyCFTRKCMIGUBMST-UHFFFAOYSA-N
XLogP3.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-methoxypropan-1-one
CID 97476692
[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 133142880
[(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
CID 97477256
1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
CID 97475946
[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone
CID 131650087
[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 131659597
1-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one
CID 131650088
1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one
CID 97477667
2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 133140531
(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97474938
(2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide
CID 97476059
1-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone
CID 97477211

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone?
The IUPAC name of 1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone (CID 131655535) is 1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone.
What is the SMILES notation for 1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone?
The canonical SMILES for 1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone is CN1C(COCC2CC2)CCC12CCN(C(=O)Cc1ccccc1)CC2.
What is the InChIKey of 1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone?
The InChIKey is CFTRKCMIGUBMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-23-20(17-26-16-19-7-8-19)9-10-22(23)11-13-24(14-12-22)21(25)15-18-5-3-2-4-6-18/h2-6,19-20H,7-17H2,1H3.
What are the key properties of 1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone?
1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone has a molecular weight of 356.51 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone is sourced from PubChem (CID 131655535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).