2-(3-methoxypropyl)-8-(4-thiophen-2-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one

C20H30N2O3S — CID 72930366

IUPAC2-(3-methoxypropyl)-8-(4-thiophen-2-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(C(=O)CCCc3cccs3)CC2)CC1=O
InChIInChI=1S/C20H30N2O3S/c1-25-13-4-10-22-16-20(15-19(22)24)8-11-21(12-9-20)18(23)7-2-5-17-6-3-14-26-17/h3,6,14H,2,4-5,7-13,15-16H2,1H3
InChIKeySBCJPWNIBMKLAC-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.95
Rot. Bonds8

About 2-(3-methoxypropyl)-8-(4-thiophen-2-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one

2-(3-methoxypropyl)-8-(4-thiophen-2-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72930366) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-8-(4-thiophen-2-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-8-(4-thiophen-2-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72930366
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name2-(3-methoxypropyl)-8-(4-thiophen-2-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(C(=O)CCCc3cccs3)CC2)CC1=O
InChIInChI=1S/C20H30N2O3S/c1-25-13-4-10-22-16-20(15-19(22)24)8-11-21(12-9-20)18(23)7-2-5-17-6-3-14-26-17/h3,6,14H,2,4-5,7-13,15-16H2,1H3
InChIKeySBCJPWNIBMKLAC-UHFFFAOYSA-N
XLogP2.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide
CID 46943863
[3-[(Dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 71786046
2-(2-Methoxyethyl)-8-[4-(2-thienyl)butanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72860662
2-(2-Methoxyethyl)-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370185
1-[9-(Oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone
CID 118739161
3-(3-Methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione
CID 171346967
Ethyl 1-[1-(thiophen-2-yl)cyclopentanecarbonyl]piperidine-4-carboxylate
CID 42435336
9-Ethyl-1-methyl-4-[4-(2-thienyl)butanoyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72841926
{(3R*,4R*)-4-[(4-methylpiperazin-1-yl)methyl]-1-[4-(2-thienyl)butanoyl]pyrrolidin-3-yl}methanol
CID 72914056
methyl [(S)-1-{[1-(2-thienyl)cyclopentyl]carbonyl}-3-pyrrolidinylthio]acetate
CID 99982180
(3S,5R)-3-methyl-5-(2-methylprop-2-enyl)-3-octyl-1-(2-thiophen-2-ylethyl)pyrrolidin-2-one
CID 166439048
Morpholin-4-yl-(1-thiophen-2-ylcyclopentyl)methanone
CID 42435331

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-8-(4-thiophen-2-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-methoxypropyl)-8-(4-thiophen-2-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72930366) is 2-(3-methoxypropyl)-8-(4-thiophen-2-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-methoxypropyl)-8-(4-thiophen-2-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-methoxypropyl)-8-(4-thiophen-2-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one is COCCCN1CC2(CCN(C(=O)CCCc3cccs3)CC2)CC1=O.
What is the InChIKey of 2-(3-methoxypropyl)-8-(4-thiophen-2-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is SBCJPWNIBMKLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-25-13-4-10-22-16-20(15-19(22)24)8-11-21(12-9-20)18(23)7-2-5-17-6-3-14-26-17/h3,6,14H,2,4-5,7-13,15-16H2,1H3.
What are the key properties of 2-(3-methoxypropyl)-8-(4-thiophen-2-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one?
2-(3-methoxypropyl)-8-(4-thiophen-2-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 378.54 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-8-(4-thiophen-2-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72930366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).