(3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane

C22H32N4 — CID 97276503

IUPAC(3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane
SMILESCc1nccn1CCCN1CCC2(CC1)C[C@@H](c1ccccc1)CN2C
InChIInChI=1S/C22H32N4/c1-19-23-11-16-26(19)13-6-12-25-14-9-22(10-15-25)17-21(18-24(22)2)20-7-4-3-5-8-20/h3-5,7-8,11,16,21H,6,9-10,12-15,17-18H2,1-2H3/t21-/m1/s1
InChIKeyYASLDDFKRWNICI-OAQYLSRUSA-N
MW352.53 g/mol
LogP3.54
Rot. Bonds5

About (3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane

(3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane (PubChem CID 97276503) has the molecular formula C22H32N4 and a molecular weight of 352.53 g/mol. Its IUPAC name is (3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane
PubChem CID97276503
Molecular FormulaC22H32N4
Molecular Weight352.53 g/mol
Exact Mass352.26
IUPAC Name(3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane
SMILESCc1nccn1CCCN1CCC2(CC1)C[C@@H](c1ccccc1)CN2C
InChIInChI=1S/C22H32N4/c1-19-23-11-16-26(19)13-6-12-25-14-9-22(10-15-25)17-21(18-24(22)2)20-7-4-3-5-8-20/h3-5,7-8,11,16,21H,6,9-10,12-15,17-18H2,1-2H3/t21-/m1/s1
InChIKeyYASLDDFKRWNICI-OAQYLSRUSA-N
XLogP3.54
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-2-methylimidazole
CID 86814329
(3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane
CID 97282637
(1R,2S,3R,4S)-1-(hydroxymethyl)-6-[3-(2-methylimidazol-1-yl)propyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol
CID 155494325
(3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane
CID 97274872
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-4-ylethanone
CID 97271298
(3R)-2-acetyl-8-[3-(2-methylimidazol-1-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97153585
N-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine
CID 72897502
2-(2-hydroxyphenyl)-1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97444886
(6R)-1-methyl-4-[3-(2-methylimidazol-1-yl)propyl]-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98788959
3-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]-1-phenylpiperidin-2-one
CID 75474297
(3S,4R)-1-[4-(2-methylimidazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70786394
(2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 72926028

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane?
The IUPAC name of (3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane (CID 97276503) is (3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for (3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for (3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane is Cc1nccn1CCCN1CCC2(CC1)C[C@@H](c1ccccc1)CN2C.
What is the InChIKey of (3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane?
The InChIKey is YASLDDFKRWNICI-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H32N4/c1-19-23-11-16-26(19)13-6-12-25-14-9-22(10-15-25)17-21(18-24(22)2)20-7-4-3-5-8-20/h3-5,7-8,11,16,21H,6,9-10,12-15,17-18H2,1-2H3/t21-/m1/s1.
What are the key properties of (3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane?
(3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane has a molecular weight of 352.53 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97276503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).