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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 70780104
CID 70780104
CID 70782635
CID 70782635
CID 70724574
CID 70724574
CID 70737039
CID 70737039
CID 70768088
CID 70768088
CID 70740136
CID 70740136
CID 70741001
CID 70741001
CID 134321749
CID 134321749
CID 134339910
CID 134339910
CID 138645756
CID 138645756
CID 70733414
CID 70733414
CID 67653486
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).