2-(4-chlorophenyl)-1-[2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone

C20H23ClN2O2 — CID 97408641

IUPAC2-(4-chlorophenyl)-1-[2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
SMILESCc1ccc(CN2CC3(CCN(C(=O)Cc4ccc(Cl)cc4)C3)C2)o1
InChIInChI=1S/C20H23ClN2O2/c1-15-2-7-18(25-15)11-22-12-20(13-22)8-9-23(14-20)19(24)10-16-3-5-17(21)6-4-16/h2-7H,8-14H2,1H3
InChIKeyMROTYLWDXHCGQC-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.52
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone

2-(4-chlorophenyl)-1-[2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone (PubChem CID 97408641) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
PubChem CID97408641
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-(4-chlorophenyl)-1-[2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
SMILESCc1ccc(CN2CC3(CCN(C(=O)Cc4ccc(Cl)cc4)C3)C2)o1
InChIInChI=1S/C20H23ClN2O2/c1-15-2-7-18(25-15)11-22-12-20(13-22)8-9-23(14-20)19(24)10-16-3-5-17(21)6-4-16/h2-7H,8-14H2,1H3
InChIKeyMROTYLWDXHCGQC-UHFFFAOYSA-N
XLogP3.52
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97392762
2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97472463
2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 97408658
2-(4-chlorophenyl)-1-[7-[(4-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 97473020
2-(4-chlorophenyl)-1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 97408659
2-(4-chlorophenyl)-1-[6-[(3,4-difluorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 170787318
methyl 4-[[2-[2-(4-chlorophenyl)acetyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzoate
CID 170787480
2-(4-methoxyphenyl)-1-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 134706431
(5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 97482941
N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
CID 17126963
2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 69429885
2-(4-chlorophenyl)-1-[7-[(3-fluoro-4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 97392995

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone (CID 97408641) is 2-(4-chlorophenyl)-1-[2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone is Cc1ccc(CN2CC3(CCN(C(=O)Cc4ccc(Cl)cc4)C3)C2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
The InChIKey is MROTYLWDXHCGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-15-2-7-18(25-15)11-22-12-20(13-22)8-9-23(14-20)19(24)10-16-3-5-17(21)6-4-16/h2-7H,8-14H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
2-(4-chlorophenyl)-1-[2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone has a molecular weight of 358.87 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone is sourced from PubChem (CID 97408641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).