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

C19H35N5O3 — CID 70714820

IUPAC8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)N1CCN(CCN2CC3(CCN(C(=O)CCN)CC3)OC2=O)CC1
InChIInChI=1S/C19H35N5O3/c1-16(2)22-12-9-21(10-13-22)11-14-24-15-19(27-18(24)26)4-7-23(8-5-19)17(25)3-6-20/h16H,3-15,20H2,1-2H3
InChIKeySAPPDBPPTXCGMU-UHFFFAOYSA-N
MW381.52 g/mol
LogP0.17
Rot. Bonds6

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

8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70714820) has the molecular formula C19H35N5O3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70714820
Molecular FormulaC19H35N5O3
Molecular Weight381.52 g/mol
Exact Mass381.27
IUPAC Name8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)N1CCN(CCN2CC3(CCN(C(=O)CCN)CC3)OC2=O)CC1
InChIInChI=1S/C19H35N5O3/c1-16(2)22-12-9-21(10-13-22)11-14-24-15-19(27-18(24)26)4-7-23(8-5-19)17(25)3-6-20/h16H,3-15,20H2,1-2H3
InChIKeySAPPDBPPTXCGMU-UHFFFAOYSA-N
XLogP0.17
TPSA82.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-{2-[(2-Methoxyethyl)(methyl)amino]ethyl}-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70780104
3-{2-[(2-Methoxyethyl)(methyl)amino]ethyl}-8-(3-piperidinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 70782635
3-[2-(4-ethyl-1-piperazinyl)ethyl]-8-(N-methyl-L-alanyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 70724574
3-Methyl-8-(1-piperidin-4-ylprolyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70737039
3-[3-(4-Ethyl-1-piperazinyl)propyl]-8-glycyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 70768088
3-[3-(4-isopropyl-1-piperazinyl)propyl]-8-L-prolyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 70740136
3-[2-(4-ethyl-1-piperazinyl)ethyl]-8-D-prolyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 70741001
8-(3-Amino-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 134321749
8-(3-Amino-1-ethyl-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 134339910
3,3-diamino-2-(1-ethyl-5-fluoro-1,3-diazinan-2-yl)-N-[4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]propanamide
CID 138645756
3-(3-Methylbutyl)-8-[(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70733414
Tert-butyl 4-[5-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]-3-methyl-2-oxo-1,3-oxazolidin-3-ium-3-yl]piperidine-1-carboxylate
CID 67653486

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70714820) is 8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)N1CCN(CCN2CC3(CCN(C(=O)CCN)CC3)OC2=O)CC1.
What is the InChIKey of 8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SAPPDBPPTXCGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O3/c1-16(2)22-12-9-21(10-13-22)11-14-24-15-19(27-18(24)26)4-7-23(8-5-19)17(25)3-6-20/h16H,3-15,20H2,1-2H3.
What are the key properties of 8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 381.52 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70714820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).