(3R)-8-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C20H24N2O2 — CID 126441595

IUPAC(3R)-8-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)o1
InChIInChI=1S/C20H24N2O2/c1-15-7-8-17(24-15)14-22-11-9-20(10-12-22)13-18(19(23)21-20)16-5-3-2-4-6-16/h2-8,18H,9-14H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyPCJNLCPQOAALPY-GOSISDBHSA-N
MW324.42 g/mol
LogP3.23
Rot. Bonds3

About (3R)-8-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

(3R)-8-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 126441595) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (3R)-8-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R)-8-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID126441595
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(3R)-8-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)o1
InChIInChI=1S/C20H24N2O2/c1-15-7-8-17(24-15)14-22-11-9-20(10-12-22)13-18(19(23)21-20)16-5-3-2-4-6-16/h2-8,18H,9-14H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyPCJNLCPQOAALPY-GOSISDBHSA-N
XLogP3.23
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 124914058
(3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97190791
8-(naphthalen-1-ylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72851262
(1S)-2-methyl-7-[(5-methylfuran-2-yl)methyl]-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 97415576
8-[(2-fluoro-4-methoxyphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72881025
(4S)-2-methyl-8-[(5-methylfuran-2-yl)methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 97415618
(3R)-8-[[2-(furan-2-yl)phenyl]methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97199846
(3S)-8-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97200009
(3S)-8-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 126449511
(3S)-8-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97286307
(3S)-8-[(4-fluoro-3-methoxyphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 126447848
8-(furan-2-ylmethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155830504

Frequently Asked Questions

What is the IUPAC name of (3R)-8-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3R)-8-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 126441595) is (3R)-8-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R)-8-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3R)-8-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is Cc1ccc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)o1.
What is the InChIKey of (3R)-8-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PCJNLCPQOAALPY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-7-8-17(24-15)14-22-11-9-20(10-12-22)13-18(19(23)21-20)16-5-3-2-4-6-16/h2-8,18H,9-14H2,1H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (3R)-8-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
(3R)-8-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 324.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 126441595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).