N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]acetamide;hydrochloride

C24H34ClFN4O3 — CID 162312680

IUPACN-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]acetamide;hydrochloride
SMILESCC(=O)N[C@@H](CCN1C2CCC1CC1(C2)C(=O)N(C)C(=O)N1C(C)C)c1cccc(F)c1.Cl
InChIInChI=1S/C24H33FN4O3.ClH/c1-15(2)29-23(32)27(4)22(31)24(29)13-19-8-9-20(14-24)28(19)11-10-21(26-16(3)30)17-6-5-7-18(25)12-17;/h5-7,12,15,19-21H,8-11,13-14H2,1-4H3,(H,26,30);1H/t19?,20?,21-,24?;/m0./s1
InChIKeyPOMYRWTWXAAUMI-IDTIXFIYSA-N
MW481.01 g/mol
LogP3.48
Rot. Bonds6

About N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]acetamide;hydrochloride

N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]acetamide;hydrochloride (PubChem CID 162312680) has the molecular formula C24H34ClFN4O3 and a molecular weight of 481.01 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]acetamide;hydrochloride
PubChem CID162312680
Molecular FormulaC24H34ClFN4O3
Molecular Weight481.01 g/mol
Exact Mass480.23
IUPAC NameN-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]acetamide;hydrochloride
SMILESCC(=O)N[C@@H](CCN1C2CCC1CC1(C2)C(=O)N(C)C(=O)N1C(C)C)c1cccc(F)c1.Cl
InChIInChI=1S/C24H33FN4O3.ClH/c1-15(2)29-23(32)27(4)22(31)24(29)13-19-8-9-20(14-24)28(19)11-10-21(26-16(3)30)17-6-5-7-18(25)12-17;/h5-7,12,15,19-21H,8-11,13-14H2,1-4H3,(H,26,30);1H/t19?,20?,21-,24?;/m0./s1
InChIKeyPOMYRWTWXAAUMI-IDTIXFIYSA-N
XLogP3.48
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.01
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]acetamide;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

N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]cyclopentanecarboxamide
CID 59827737
N-[(1S)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]acetamide;hydrochloride
CID 160922754
N-[(1S)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 157159596
N-[(1S)-3-(2',5'-dioxo-1'-phenyl-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide
CID 59827705
4,4-difluoro-N-[(1S)-3-[1'-methyl-3'-(2-methylpropyl)-2',5'-dioxospiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;hydrochloride
CID 159196532
4,4-difluoro-N-[3-[1'-(oxan-4-yl)-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
CID 72572309
N-[(1S)-3-(2',5'-dioxo-3'-propan-2-yl-1'-pyridin-4-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide
CID 59827748
N-[(1S)-3-(2',4'-dioxo-1'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-8-yl)-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide
CID 59827727
N-[(1S)-1-(3-fluorophenyl)-3-[3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]acetamide
CID 11237537
N-[(1S)-1-(3-fluorophenyl)-3-[3-(2-methyl-5-propanoyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]acetamide
CID 11363952
ethyl 4-[8-[(3S)-3-acetamido-3-(3-fluorophenyl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 91048107
N-[(1S)-3-(1'-benzyl-3'-ethyl-2',5'-dioxospiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide
CID 59827666

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]acetamide;hydrochloride?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]acetamide;hydrochloride (CID 162312680) is N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]acetamide;hydrochloride.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]acetamide;hydrochloride?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]acetamide;hydrochloride is CC(=O)N[C@@H](CCN1C2CCC1CC1(C2)C(=O)N(C)C(=O)N1C(C)C)c1cccc(F)c1.Cl.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]acetamide;hydrochloride?
The InChIKey is POMYRWTWXAAUMI-IDTIXFIYSA-N. The full InChI is InChI=1S/C24H33FN4O3.ClH/c1-15(2)29-23(32)27(4)22(31)24(29)13-19-8-9-20(14-24)28(19)11-10-21(26-16(3)30)17-6-5-7-18(25)12-17;/h5-7,12,15,19-21H,8-11,13-14H2,1-4H3,(H,26,30);1H/t19?,20?,21-,24?;/m0./s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]acetamide;hydrochloride?
N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]acetamide;hydrochloride has a molecular weight of 481.01 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]acetamide;hydrochloride is sourced from PubChem (CID 162312680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).