10-methyl-3-[(5-propylfuran-2-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one

C19H30N2O2 — CID 56720180

IUPAC10-methyl-3-[(5-propylfuran-2-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCCCc1ccc(CN2CCC3(CCC(=O)N(C)CC3)CC2)o1
InChIInChI=1S/C19H30N2O2/c1-3-4-16-5-6-17(23-16)15-21-13-10-19(11-14-21)8-7-18(22)20(2)12-9-19/h5-6H,3-4,7-15H2,1-2H3
InChIKeyBTVSBKJTSGPFRL-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.46
Rot. Bonds4

About 10-methyl-3-[(5-propylfuran-2-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one

10-methyl-3-[(5-propylfuran-2-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 56720180) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 10-methyl-3-[(5-propylfuran-2-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name10-methyl-3-[(5-propylfuran-2-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID56720180
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name10-methyl-3-[(5-propylfuran-2-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCCCc1ccc(CN2CCC3(CCC(=O)N(C)CC3)CC2)o1
InChIInChI=1S/C19H30N2O2/c1-3-4-16-5-6-17(23-16)15-21-13-10-19(11-14-21)8-7-18(22)20(2)12-9-19/h5-6H,3-4,7-15H2,1-2H3
InChIKeyBTVSBKJTSGPFRL-UHFFFAOYSA-N
XLogP3.46
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-oxo-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97147000
8-[(5-propylfuran-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70780907
[5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol
CID 56917105
8-[(5-ethylfuran-2-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70784758
N-(2-ethylphenyl)-3-(10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecan-3-yl)propanamide
CID 91838129
3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one
CID 77084715
1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 65064757
3-(2-methoxyethyl)-1-[(5-propylfuran-2-yl)methyl]piperidine-3-carboxylic acid
CID 72934146
methyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate
CID 70777952
1-(4-methoxyphenyl)-4-[(5-propylfuran-2-yl)methyl]piperazin-2-one
CID 70763198
(5R)-1-ethyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97370892
N,N-diethyl-10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecane-3-sulfonamide
CID 56708160

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-[(5-propylfuran-2-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 10-methyl-3-[(5-propylfuran-2-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one (CID 56720180) is 10-methyl-3-[(5-propylfuran-2-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 10-methyl-3-[(5-propylfuran-2-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 10-methyl-3-[(5-propylfuran-2-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one is CCCc1ccc(CN2CCC3(CCC(=O)N(C)CC3)CC2)o1.
What is the InChIKey of 10-methyl-3-[(5-propylfuran-2-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is BTVSBKJTSGPFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-3-4-16-5-6-17(23-16)15-21-13-10-19(11-14-21)8-7-18(22)20(2)12-9-19/h5-6H,3-4,7-15H2,1-2H3.
What are the key properties of 10-methyl-3-[(5-propylfuran-2-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one?
10-methyl-3-[(5-propylfuran-2-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 318.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-[(5-propylfuran-2-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 56720180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).