8-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride

C25H30ClN3O — CID 18782446

IUPAC8-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
SMILESCl.O=C1NCN(c2ccccc2)C12CCN(C1CC3CCCc4cccc1c43)CC2
InChIInChI=1S/C25H29N3O.ClH/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19;/h1-3,5,7,9-11,19,22H,4,6,8,12-17H2,(H,26,29);1H
InChIKeyMXUICAIQYBHDCZ-UHFFFAOYSA-N
MW423.99 g/mol
LogP4.40
Rot. Bonds2

About 8-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride

8-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride (PubChem CID 18782446) has the molecular formula C25H30ClN3O and a molecular weight of 423.99 g/mol. Its IUPAC name is 8-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride.

Molecular Properties

Compound Name8-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
PubChem CID18782446
Molecular FormulaC25H30ClN3O
Molecular Weight423.99 g/mol
Exact Mass423.21
IUPAC Name8-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
SMILESCl.O=C1NCN(c2ccccc2)C12CCN(C1CC3CCCc4cccc1c43)CC2
InChIInChI=1S/C25H29N3O.ClH/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19;/h1-3,5,7,9-11,19,22H,4,6,8,12-17H2,(H,26,29);1H
InChIKeyMXUICAIQYBHDCZ-UHFFFAOYSA-N
XLogP4.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.99
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride 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

Fluspirilene
CID 3396
ND1251
CID 9844019
8-Acenaphthen-1-yl-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one
CID 10022859
8-[(1R,3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10763594
8-[(1R)-1,2-dihydroacenaphthylen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 15512229
3-[2-(Cyclopentylamino)ethyl]-8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190613
8-(4,4-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190615
8-(4,4-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-3-[2-(prop-2-en-1-ylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190616
3-{2-[(Cyclopropylmethyl)amino]ethyl}-8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190618
8-(4,4-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-{2-[(2-methylpropyl)amino]ethyl}-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190619
3-[2-(Butylamino)ethyl]-8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190622
8-(4,4-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-{2-[(3-methylbutyl)amino]ethyl}-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190623

Frequently Asked Questions

What is the IUPAC name of 8-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The IUPAC name of 8-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride (CID 18782446) is 8-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride.
What is the SMILES notation for 8-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The canonical SMILES for 8-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride is Cl.O=C1NCN(c2ccccc2)C12CCN(C1CC3CCCc4cccc1c43)CC2.
What is the InChIKey of 8-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The InChIKey is MXUICAIQYBHDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O.ClH/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19;/h1-3,5,7,9-11,19,22H,4,6,8,12-17H2,(H,26,29);1H.
What are the key properties of 8-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
8-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride has a molecular weight of 423.99 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride is sourced from PubChem (CID 18782446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).