1-[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-methoxypropan-1-one

C18H32N2O3 — CID 97476692

IUPAC1-[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC2(CC[C@H](COCC3CC3)N2C)CC1
InChIInChI=1S/C18H32N2O3/c1-19-16(14-23-13-15-3-4-15)5-7-18(19)8-10-20(11-9-18)17(21)6-12-22-2/h15-16H,3-14H2,1-2H3/t16-/m1/s1
InChIKeyBRHRMCVLVRZMPP-MRXNPFEDSA-N
MW324.47 g/mol
LogP1.90
Rot. Bonds7

About 1-[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-methoxypropan-1-one

1-[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-methoxypropan-1-one (PubChem CID 97476692) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-methoxypropan-1-one
PubChem CID97476692
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name1-[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC2(CC[C@H](COCC3CC3)N2C)CC1
InChIInChI=1S/C18H32N2O3/c1-19-16(14-23-13-15-3-4-15)5-7-18(19)8-10-20(11-9-18)17(21)6-12-22-2/h15-16H,3-14H2,1-2H3/t16-/m1/s1
InChIKeyBRHRMCVLVRZMPP-MRXNPFEDSA-N
XLogP1.90
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 131655535
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-1,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 133142880
[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
[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
CID 97476796
[(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
CID 97477256
2-(methoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 133140590
(2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide
CID 97476059
1-[4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone
CID 131678283
1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
CID 97475946

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-methoxypropan-1-one (CID 97476692) is 1-[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCC2(CC[C@H](COCC3CC3)N2C)CC1.
What is the InChIKey of 1-[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-methoxypropan-1-one?
The InChIKey is BRHRMCVLVRZMPP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-19-16(14-23-13-15-3-4-15)5-7-18(19)8-10-20(11-9-18)17(21)6-12-22-2/h15-16H,3-14H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-methoxypropan-1-one?
1-[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-methoxypropan-1-one has a molecular weight of 324.47 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 97476692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).