8-(2-aminoacetyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H33N5O3 — CID 70768088

IUPAC8-(2-aminoacetyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CCN(CCCN2CC3(CCN(C(=O)CN)CC3)OC2=O)CC1
InChIInChI=1S/C18H33N5O3/c1-2-20-10-12-21(13-11-20)6-3-7-23-15-18(26-17(23)25)4-8-22(9-5-18)16(24)14-19/h2-15,19H2,1H3
InChIKeyVOKOFEKVYRHUNU-UHFFFAOYSA-N
MW367.49 g/mol
LogP-0.21
Rot. Bonds6

About 8-(2-aminoacetyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(2-aminoacetyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70768088) has the molecular formula C18H33N5O3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 8-(2-aminoacetyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-aminoacetyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70768088
Molecular FormulaC18H33N5O3
Molecular Weight367.49 g/mol
Exact Mass367.26
IUPAC Name8-(2-aminoacetyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CCN(CCCN2CC3(CCN(C(=O)CN)CC3)OC2=O)CC1
InChIInChI=1S/C18H33N5O3/c1-2-20-10-12-21(13-11-20)6-3-7-23-15-18(26-17(23)25)4-8-22(9-5-18)16(24)14-19/h2-15,19H2,1H3
InChIKeyVOKOFEKVYRHUNU-UHFFFAOYSA-N
XLogP-0.21
TPSA82.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoacetyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-aminoacetyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70768088) is 8-(2-aminoacetyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-aminoacetyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-aminoacetyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CCN(CCCN2CC3(CCN(C(=O)CN)CC3)OC2=O)CC1.
What is the InChIKey of 8-(2-aminoacetyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VOKOFEKVYRHUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O3/c1-2-20-10-12-21(13-11-20)6-3-7-23-15-18(26-17(23)25)4-8-22(9-5-18)16(24)14-19/h2-15,19H2,1H3.
What are the key properties of 8-(2-aminoacetyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(2-aminoacetyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 367.49 g/mol, XLogP of -0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoacetyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70768088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).