1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-phenylbutan-1-one

C20H30N2O2 — CID 91910479

IUPAC1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-phenylbutan-1-one
SMILESCOCC1CN(C(=O)CCCc2ccccc2)CC12CCNCC2
InChIInChI=1S/C20H30N2O2/c1-24-15-18-14-22(16-20(18)10-12-21-13-11-20)19(23)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,18,21H,5,8-16H2,1H3
InChIKeyGJOAMWKUSXMRID-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.48
Rot. Bonds6

About 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-phenylbutan-1-one

1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-phenylbutan-1-one (PubChem CID 91910479) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-phenylbutan-1-one
PubChem CID91910479
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-phenylbutan-1-one
SMILESCOCC1CN(C(=O)CCCc2ccccc2)CC12CCNCC2
InChIInChI=1S/C20H30N2O2/c1-24-15-18-14-22(16-20(18)10-12-21-13-11-20)19(23)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,18,21H,5,8-16H2,1H3
InChIKeyGJOAMWKUSXMRID-UHFFFAOYSA-N
XLogP2.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-phenylbutan-1-one (CID 91910479) is 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-phenylbutan-1-one is COCC1CN(C(=O)CCCc2ccccc2)CC12CCNCC2.
What is the InChIKey of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-phenylbutan-1-one?
The InChIKey is GJOAMWKUSXMRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-24-15-18-14-22(16-20(18)10-12-21-13-11-20)19(23)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,18,21H,5,8-16H2,1H3.
What are the key properties of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-phenylbutan-1-one?
1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-phenylbutan-1-one has a molecular weight of 330.47 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 91910479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).