1-(2-methoxyphenyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one

C23H29N3O2 — CID 70968701

IUPAC1-(2-methoxyphenyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCOc1ccccc1N1CNC(=O)C12CCN(CCCc1ccccc1)CC2
InChIInChI=1S/C23H29N3O2/c1-28-21-12-6-5-11-20(21)26-18-24-22(27)23(26)13-16-25(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12H,7,10,13-18H2,1H3,(H,24,27)
InChIKeyFTWKNUYGKZMMMD-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.06
Rot. Bonds6

About 1-(2-methoxyphenyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one

1-(2-methoxyphenyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 70968701) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID70968701
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-(2-methoxyphenyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCOc1ccccc1N1CNC(=O)C12CCN(CCCc1ccccc1)CC2
InChIInChI=1S/C23H29N3O2/c1-28-21-12-6-5-11-20(21)26-18-24-22(27)23(26)13-16-25(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12H,7,10,13-18H2,1H3,(H,24,27)
InChIKeyFTWKNUYGKZMMMD-UHFFFAOYSA-N
XLogP3.06
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-chloropropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 21453222
8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
CID 19347342
8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 58968079
8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 4997901
1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid
CID 17369301
4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
CID 21428983
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
(5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one
CID 7327809
3-[(4-methoxyphenyl)methyl]-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 91218791
8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23377559
8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 123914569

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-(2-methoxyphenyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 70968701) is 1-(2-methoxyphenyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-(2-methoxyphenyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one is COc1ccccc1N1CNC(=O)C12CCN(CCCc1ccccc1)CC2.
What is the InChIKey of 1-(2-methoxyphenyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is FTWKNUYGKZMMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-28-21-12-6-5-11-20(21)26-18-24-22(27)23(26)13-16-25(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12H,7,10,13-18H2,1H3,(H,24,27).
What are the key properties of 1-(2-methoxyphenyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one?
1-(2-methoxyphenyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 379.50 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 70968701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).