N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-N-methylacetamide

C34H38ClFN2O3 — CID 124971784

IUPACN-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)C[C@@]1(COc2ccc(Cl)cc2)CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1
InChIInChI=1S/C34H38ClFN2O3/c1-37(23-26-8-3-2-4-9-26)31(39)22-33(25-41-30-16-12-28(35)13-17-30)18-7-21-38(24-33)32(40)34(19-5-6-20-34)27-10-14-29(36)15-11-27/h2-4,8-17H,5-7,18-25H2,1H3/t33-/m0/s1
InChIKeyJYXLMNYNDFVTRS-XIFFEERXSA-N
MW577.14 g/mol
LogP7.03
Rot. Bonds9

About N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-N-methylacetamide

N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-N-methylacetamide (PubChem CID 124971784) has the molecular formula C34H38ClFN2O3 and a molecular weight of 577.14 g/mol. Its IUPAC name is N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-N-methylacetamide
PubChem CID124971784
Molecular FormulaC34H38ClFN2O3
Molecular Weight577.14 g/mol
Exact Mass576.26
IUPAC NameN-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)C[C@@]1(COc2ccc(Cl)cc2)CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1
InChIInChI=1S/C34H38ClFN2O3/c1-37(23-26-8-3-2-4-9-26)31(39)22-33(25-41-30-16-12-28(35)13-17-30)18-7-21-38(24-33)32(40)34(19-5-6-20-34)27-10-14-29(36)15-11-27/h2-4,8-17H,5-7,18-25H2,1H3/t33-/m0/s1
InChIKeyJYXLMNYNDFVTRS-XIFFEERXSA-N
XLogP7.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.14
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-N-methylacetamide 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-benzyl-2-[3-[(4-chlorophenoxy)methyl]-1-(2-fluorobenzoyl)piperidin-3-yl]-N-methylacetamide
CID 110080935
N-benzyl-2-[3-[(4-chlorophenoxy)methyl]-1-(3-fluorobenzoyl)piperidin-3-yl]-N-methylacetamide
CID 110080938
N-benzyl-2-[3-[(3-chlorophenoxy)methyl]-1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]-N-methylacetamide
CID 110079068
2-[(3R)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124953199
N-benzyl-2-[3-[(4-chlorophenoxy)methyl]-1-[4-(trifluoromethoxy)benzoyl]piperidin-3-yl]-N-methylacetamide
CID 110080931
N-benzyl-2-[(3R)-3-[(4-chlorophenoxy)methyl]-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]-N-methylacetamide
CID 124999550
2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-N-benzyl-N-methylacetamide
CID 110081175
N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylacetamide
CID 124981344
N-benzyl-2-[(3R)-1-(2,6-dichlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide
CID 124973613
N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylacetamide
CID 124969636
N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]-N-methylacetamide
CID 124965551
N-benzyl-2-[3-[(4-chlorophenoxy)methyl]-1-(2-methylphenyl)sulfonylpiperidin-3-yl]-N-methylacetamide
CID 110080965

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-N-methylacetamide (CID 124971784) is N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)C[C@@]1(COc2ccc(Cl)cc2)CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1.
What is the InChIKey of N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-N-methylacetamide?
The InChIKey is JYXLMNYNDFVTRS-XIFFEERXSA-N. The full InChI is InChI=1S/C34H38ClFN2O3/c1-37(23-26-8-3-2-4-9-26)31(39)22-33(25-41-30-16-12-28(35)13-17-30)18-7-21-38(24-33)32(40)34(19-5-6-20-34)27-10-14-29(36)15-11-27/h2-4,8-17H,5-7,18-25H2,1H3/t33-/m0/s1.
What are the key properties of N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-N-methylacetamide?
N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-N-methylacetamide has a molecular weight of 577.14 g/mol, XLogP of 7.03, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 124971784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).