8-(1-methylcyclopropanecarbonyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C22H38N4O3 — CID 70705966

IUPAC8-(1-methylcyclopropanecarbonyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)N1CCN(CCCN2CC3(CCN(C(=O)C4(C)CC4)CC3)OC2=O)CC1
InChIInChI=1S/C22H38N4O3/c1-18(2)24-15-13-23(14-16-24)9-4-10-26-17-22(29-20(26)28)7-11-25(12-8-22)19(27)21(3)5-6-21/h18H,4-17H2,1-3H3
InChIKeyYMPWAELCSBRGRV-UHFFFAOYSA-N
MW406.57 g/mol
LogP2.02
Rot. Bonds6

About 8-(1-methylcyclopropanecarbonyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(1-methylcyclopropanecarbonyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70705966) has the molecular formula C22H38N4O3 and a molecular weight of 406.57 g/mol. Its IUPAC name is 8-(1-methylcyclopropanecarbonyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(1-methylcyclopropanecarbonyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70705966
Molecular FormulaC22H38N4O3
Molecular Weight406.57 g/mol
Exact Mass406.29
IUPAC Name8-(1-methylcyclopropanecarbonyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)N1CCN(CCCN2CC3(CCN(C(=O)C4(C)CC4)CC3)OC2=O)CC1
InChIInChI=1S/C22H38N4O3/c1-18(2)24-15-13-23(14-16-24)9-4-10-26-17-22(29-20(26)28)7-11-25(12-8-22)19(27)21(3)5-6-21/h18H,4-17H2,1-3H3
InChIKeyYMPWAELCSBRGRV-UHFFFAOYSA-N
XLogP2.02
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylcyclopropanecarbonyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(1-methylcyclopropanecarbonyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70705966) is 8-(1-methylcyclopropanecarbonyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(1-methylcyclopropanecarbonyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(1-methylcyclopropanecarbonyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)N1CCN(CCCN2CC3(CCN(C(=O)C4(C)CC4)CC3)OC2=O)CC1.
What is the InChIKey of 8-(1-methylcyclopropanecarbonyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is YMPWAELCSBRGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O3/c1-18(2)24-15-13-23(14-16-24)9-4-10-26-17-22(29-20(26)28)7-11-25(12-8-22)19(27)21(3)5-6-21/h18H,4-17H2,1-3H3.
What are the key properties of 8-(1-methylcyclopropanecarbonyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(1-methylcyclopropanecarbonyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 406.57 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylcyclopropanecarbonyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70705966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).