(4S)-2-methyl-8-[(5-methylfuran-2-yl)methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one

C21H26N2O2 — CID 97415618

IUPAC(4S)-2-methyl-8-[(5-methylfuran-2-yl)methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(CN2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)o1
InChIInChI=1S/C21H26N2O2/c1-16-8-9-18(25-16)14-23-12-10-21(11-13-23)19(15-22(2)20(21)24)17-6-4-3-5-7-17/h3-9,19H,10-15H2,1-2H3/t19-/m0/s1
InChIKeyABKQHMCOUIOUBC-IBGZPJMESA-N
MW338.45 g/mol
LogP3.43
Rot. Bonds3

About (4S)-2-methyl-8-[(5-methylfuran-2-yl)methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one

(4S)-2-methyl-8-[(5-methylfuran-2-yl)methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97415618) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (4S)-2-methyl-8-[(5-methylfuran-2-yl)methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(4S)-2-methyl-8-[(5-methylfuran-2-yl)methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97415618
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(4S)-2-methyl-8-[(5-methylfuran-2-yl)methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(CN2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)o1
InChIInChI=1S/C21H26N2O2/c1-16-8-9-18(25-16)14-23-12-10-21(11-13-23)19(15-22(2)20(21)24)17-6-4-3-5-7-17/h3-9,19H,10-15H2,1-2H3/t19-/m0/s1
InChIKeyABKQHMCOUIOUBC-IBGZPJMESA-N
XLogP3.43
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(furan-2-ylmethyl)-2-methyl-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 131662088
(1S)-2-methyl-7-[(5-methylfuran-2-yl)methyl]-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 97415576
2-methyl-7-[(5-methylfuran-2-yl)methyl]-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155833321
(3R)-8-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 126441595
4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 55179307
[4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol
CID 104695286
(2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 95725868
(4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 97452819
(1R)-7-(furan-2-ylmethyl)-2-methyl-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 97415566
2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97370180
1-methyl-8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 118746507
4-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one;bis(2,2,2-trifluoroacetic acid)
CID 118745538

Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-8-[(5-methylfuran-2-yl)methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of (4S)-2-methyl-8-[(5-methylfuran-2-yl)methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one (CID 97415618) is (4S)-2-methyl-8-[(5-methylfuran-2-yl)methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (4S)-2-methyl-8-[(5-methylfuran-2-yl)methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (4S)-2-methyl-8-[(5-methylfuran-2-yl)methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one is Cc1ccc(CN2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)o1.
What is the InChIKey of (4S)-2-methyl-8-[(5-methylfuran-2-yl)methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is ABKQHMCOUIOUBC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-8-9-18(25-16)14-23-12-10-21(11-13-23)19(15-22(2)20(21)24)17-6-4-3-5-7-17/h3-9,19H,10-15H2,1-2H3/t19-/m0/s1.
What are the key properties of (4S)-2-methyl-8-[(5-methylfuran-2-yl)methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
(4S)-2-methyl-8-[(5-methylfuran-2-yl)methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 338.45 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-8-[(5-methylfuran-2-yl)methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97415618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).