1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one

C21H34N4O2 — CID 91922330

IUPAC1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)CCn1cc(C)cn1)CC2
InChIInChI=1S/C21H34N4O2/c1-17-12-22-25(13-17)9-6-20(26)23-10-7-21(8-11-23)16-24(19-4-3-5-19)14-18(21)15-27-2/h12-13,18-19H,3-11,14-16H2,1-2H3
InChIKeyDKFKGBWGJYPTGT-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.32
Rot. Bonds6

About 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one

1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one (PubChem CID 91922330) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
PubChem CID91922330
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)CCn1cc(C)cn1)CC2
InChIInChI=1S/C21H34N4O2/c1-17-12-22-25(13-17)9-6-20(26)23-10-7-21(8-11-23)16-24(19-4-3-5-19)14-18(21)15-27-2/h12-13,18-19H,3-11,14-16H2,1-2H3
InChIKeyDKFKGBWGJYPTGT-UHFFFAOYSA-N
XLogP2.32
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one (CID 91922330) is 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one is COCC1CN(C2CCC2)CC12CCN(C(=O)CCn1cc(C)cn1)CC2.
What is the InChIKey of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The InChIKey is DKFKGBWGJYPTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-17-12-22-25(13-17)9-6-20(26)23-10-7-21(8-11-23)16-24(19-4-3-5-19)14-18(21)15-27-2/h12-13,18-19H,3-11,14-16H2,1-2H3.
What are the key properties of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one has a molecular weight of 374.53 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 91922330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).