N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]acetamide

C23H26ClF3N4O2 — CID 508801

IUPACN-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]acetamide
SMILESO=C(CNC(=O)Nc1ccc(C(F)(F)F)cc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26ClF3N4O2/c24-19-5-1-17(2-6-19)15-31-11-9-16(10-12-31)13-28-21(32)14-29-22(33)30-20-7-3-18(4-8-20)23(25,26)27/h1-8,16H,9-15H2,(H,28,32)(H2,29,30,33)
InChIKeyXCXZNVNMBVWQCF-UHFFFAOYSA-N
MW482.93 g/mol
LogP4.51
Rot. Bonds7

About N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]acetamide

N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]acetamide (PubChem CID 508801) has the molecular formula C23H26ClF3N4O2 and a molecular weight of 482.93 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]acetamide
PubChem CID508801
Molecular FormulaC23H26ClF3N4O2
Molecular Weight482.93 g/mol
Exact Mass482.17
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]acetamide
SMILESO=C(CNC(=O)Nc1ccc(C(F)(F)F)cc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26ClF3N4O2/c24-19-5-1-17(2-6-19)15-31-11-9-16(10-12-31)13-28-21(32)14-29-22(33)30-20-7-3-18(4-8-20)23(25,26)27/h1-8,16H,9-15H2,(H,28,32)(H2,29,30,33)
InChIKeyXCXZNVNMBVWQCF-UHFFFAOYSA-N
XLogP4.51
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.93
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]acetamide (CID 508801) is N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]acetamide.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]acetamide is O=C(CNC(=O)Nc1ccc(C(F)(F)F)cc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
The InChIKey is XCXZNVNMBVWQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF3N4O2/c24-19-5-1-17(2-6-19)15-31-11-9-16(10-12-31)13-28-21(32)14-29-22(33)30-20-7-3-18(4-8-20)23(25,26)27/h1-8,16H,9-15H2,(H,28,32)(H2,29,30,33).
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]acetamide has a molecular weight of 482.93 g/mol, XLogP of 4.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]acetamide is sourced from PubChem (CID 508801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).