N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide

C29H39FN4O3 — CID 10482591

IUPACN-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide
SMILESCC(C)COc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCN3CCNC3=O)CC2)cc1
InChIInChI=1S/C29H39FN4O3/c1-22(2)21-37-27-9-5-23(6-10-27)19-28(35)34(20-24-3-7-25(30)8-4-24)26-11-14-32(15-12-26)17-18-33-16-13-31-29(33)36/h3-10,22,26H,11-21H2,1-2H3,(H,31,36)
InChIKeyLPOCYHAPGNDBCC-UHFFFAOYSA-N
MW510.65 g/mol
LogP3.92
Rot. Bonds11

About N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide (PubChem CID 10482591) has the molecular formula C29H39FN4O3 and a molecular weight of 510.65 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide
PubChem CID10482591
Molecular FormulaC29H39FN4O3
Molecular Weight510.65 g/mol
Exact Mass510.30
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide
SMILESCC(C)COc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCN3CCNC3=O)CC2)cc1
InChIInChI=1S/C29H39FN4O3/c1-22(2)21-37-27-9-5-23(6-10-27)19-28(35)34(20-24-3-7-25(30)8-4-24)26-11-14-32(15-12-26)17-18-33-16-13-31-29(33)36/h3-10,22,26H,11-21H2,1-2H3,(H,31,36)
InChIKeyLPOCYHAPGNDBCC-UHFFFAOYSA-N
XLogP3.92
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.65
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide (CID 10482591) is N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide is CC(C)COc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCN3CCNC3=O)CC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide?
The InChIKey is LPOCYHAPGNDBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39FN4O3/c1-22(2)21-37-27-9-5-23(6-10-27)19-28(35)34(20-24-3-7-25(30)8-4-24)26-11-14-32(15-12-26)17-18-33-16-13-31-29(33)36/h3-10,22,26H,11-21H2,1-2H3,(H,31,36).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide has a molecular weight of 510.65 g/mol, XLogP of 3.92, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 10482591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).