N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide

C23H26ClF3N4O2 — CID 508800

IUPACN-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
SMILESO=C(CNC(=O)Nc1cccc(C(F)(F)F)c1)NCC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26ClF3N4O2/c24-19-6-4-17(5-7-19)15-31-10-8-16(9-11-31)13-28-21(32)14-29-22(33)30-20-3-1-2-18(12-20)23(25,26)27/h1-7,12,16H,8-11,13-15H2,(H,28,32)(H2,29,30,33)
InChIKeyHWPLFRKPOZFHOK-UHFFFAOYSA-N
MW482.93 g/mol
LogP4.51
Rot. Bonds7

About N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide

N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide (PubChem CID 508800) 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-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
PubChem CID508800
Molecular FormulaC23H26ClF3N4O2
Molecular Weight482.93 g/mol
Exact Mass482.17
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
SMILESO=C(CNC(=O)Nc1cccc(C(F)(F)F)c1)NCC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26ClF3N4O2/c24-19-6-4-17(5-7-19)15-31-10-8-16(9-11-31)13-28-21(32)14-29-22(33)30-20-3-1-2-18(12-20)23(25,26)27/h1-7,12,16H,8-11,13-15H2,(H,28,32)(H2,29,30,33)
InChIKeyHWPLFRKPOZFHOK-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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide (CID 508800) is N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide is O=C(CNC(=O)Nc1cccc(C(F)(F)F)c1)NCC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
The InChIKey is HWPLFRKPOZFHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF3N4O2/c24-19-6-4-17(5-7-19)15-31-10-8-16(9-11-31)13-28-21(32)14-29-22(33)30-20-3-1-2-18(12-20)23(25,26)27/h1-7,12,16H,8-11,13-15H2,(H,28,32)(H2,29,30,33).
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[3-(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-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide is sourced from PubChem (CID 508800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).