1-[3-(4-methylpiperazine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-thiophen-2-ylethanone

C20H29N3O3S — CID 83283786

IUPAC1-[3-(4-methylpiperazine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-thiophen-2-ylethanone
SMILESCN1CCN(C(=O)C2COC3(CCCCC3)N2C(=O)Cc2cccs2)CC1
InChIInChI=1S/C20H29N3O3S/c1-21-9-11-22(12-10-21)19(25)17-15-26-20(7-3-2-4-8-20)23(17)18(24)14-16-6-5-13-27-16/h5-6,13,17H,2-4,7-12,14-15H2,1H3
InChIKeyRNHOUUFMTXVUNY-UHFFFAOYSA-N
MW391.54 g/mol
LogP1.95
Rot. Bonds3

About 1-[3-(4-methylpiperazine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-thiophen-2-ylethanone

1-[3-(4-methylpiperazine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-thiophen-2-ylethanone (PubChem CID 83283786) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is 1-[3-(4-methylpiperazine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-(4-methylpiperazine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-thiophen-2-ylethanone
PubChem CID83283786
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC Name1-[3-(4-methylpiperazine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-thiophen-2-ylethanone
SMILESCN1CCN(C(=O)C2COC3(CCCCC3)N2C(=O)Cc2cccs2)CC1
InChIInChI=1S/C20H29N3O3S/c1-21-9-11-22(12-10-21)19(25)17-15-26-20(7-3-2-4-8-20)23(17)18(24)14-16-6-5-13-27-16/h5-6,13,17H,2-4,7-12,14-15H2,1H3
InChIKeyRNHOUUFMTXVUNY-UHFFFAOYSA-N
XLogP1.95
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(4-methylpiperazine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-thiophen-2-ylethanone with MolForge

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Related Compounds

N-(2-methylpropyl)-4-(2-thiophen-2-ylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956551
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 113003840
1-[(3S,5R,7R)-7-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-phenylethanone
CID 97478092
[4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 71955902
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 108536457
1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796443
3,3-dimethyl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]butan-1-one
CID 110818286
(3R)-N-benzyl-4-(4-methylbenzoyl)-8-(2-thiophen-2-ylacetyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138070
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
CID 110721392
tert-butyl 4-[1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carbonyl]piperazine-1-carboxylate
CID 55885976
1-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 137345310

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperazine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-(4-methylpiperazine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-thiophen-2-ylethanone (CID 83283786) is 1-[3-(4-methylpiperazine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-(4-methylpiperazine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-(4-methylpiperazine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-thiophen-2-ylethanone is CN1CCN(C(=O)C2COC3(CCCCC3)N2C(=O)Cc2cccs2)CC1.
What is the InChIKey of 1-[3-(4-methylpiperazine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-thiophen-2-ylethanone?
The InChIKey is RNHOUUFMTXVUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-21-9-11-22(12-10-21)19(25)17-15-26-20(7-3-2-4-8-20)23(17)18(24)14-16-6-5-13-27-16/h5-6,13,17H,2-4,7-12,14-15H2,1H3.
What are the key properties of 1-[3-(4-methylpiperazine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-thiophen-2-ylethanone?
1-[3-(4-methylpiperazine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-thiophen-2-ylethanone has a molecular weight of 391.54 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperazine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 83283786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).