N-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride

C29H40ClFN2O4 — CID 10369884

IUPACN-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
SMILESCC(C)COc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCC3OCCO3)CC2)cc1.Cl
InChIInChI=1S/C29H39FN2O4.ClH/c1-22(2)21-36-27-9-5-23(6-10-27)19-28(33)32(20-24-3-7-25(30)8-4-24)26-11-14-31(15-12-26)16-13-29-34-17-18-35-29;/h3-10,22,26,29H,11-21H2,1-2H3;1H
InChIKeyZRYAZMLVXJXVHY-UHFFFAOYSA-N
MW535.10 g/mol
LogP5.08
Rot. Bonds11

About N-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride

N-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride (PubChem CID 10369884) has the molecular formula C29H40ClFN2O4 and a molecular weight of 535.10 g/mol. Its IUPAC name is N-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
PubChem CID10369884
Molecular FormulaC29H40ClFN2O4
Molecular Weight535.10 g/mol
Exact Mass534.27
IUPAC NameN-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
SMILESCC(C)COc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCC3OCCO3)CC2)cc1.Cl
InChIInChI=1S/C29H39FN2O4.ClH/c1-22(2)21-36-27-9-5-23(6-10-27)19-28(33)32(20-24-3-7-25(30)8-4-24)26-11-14-31(15-12-26)16-13-29-34-17-18-35-29;/h3-10,22,26,29H,11-21H2,1-2H3;1H
InChIKeyZRYAZMLVXJXVHY-UHFFFAOYSA-N
XLogP5.08
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.10
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]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-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid
CID 10416174
N-[1-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 10394247
N-[1-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid
CID 10394246
N-[1-[2-(1,3-dioxan-4-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 10100897
N-[1-[2-(4,6-dimethyl-1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 10100539
1-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-1-[(4-fluorophenyl)methyl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;hydrochloride
CID 10482665
N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid
CID 10348614
N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 10482591
N-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)acetamide;oxalic acid
CID 10077081
N-[1-[3-(2,6-dimethylmorpholin-4-yl)propyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid
CID 10101479
N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-piperidin-4-ylacetamide
CID 10097003
bis[2-[[1-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-[(4-fluorophenyl)methyl]amino]-1-[4-(2-methylpropoxy)phenyl]-2-oxoethyl] oxalate
CID 88593191

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride (CID 10369884) is N-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride is CC(C)COc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCC3OCCO3)CC2)cc1.Cl.
What is the InChIKey of N-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride?
The InChIKey is ZRYAZMLVXJXVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39FN2O4.ClH/c1-22(2)21-36-27-9-5-23(6-10-27)19-28(33)32(20-24-3-7-25(30)8-4-24)26-11-14-31(15-12-26)16-13-29-34-17-18-35-29;/h3-10,22,26,29H,11-21H2,1-2H3;1H.
What are the key properties of N-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride?
N-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride has a molecular weight of 535.10 g/mol, XLogP of 5.08, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 10369884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).