N-[4-(2-fluorophenyl)-1-[(2-methoxy-7-methylquinolin-3-yl)methyl]piperidin-4-yl]acetamide

C25H28FN3O2 — CID 46966140

IUPACN-[4-(2-fluorophenyl)-1-[(2-methoxy-7-methylquinolin-3-yl)methyl]piperidin-4-yl]acetamide
SMILESCOc1nc2cc(C)ccc2cc1CN1CCC(NC(C)=O)(c2ccccc2F)CC1
InChIInChI=1S/C25H28FN3O2/c1-17-8-9-19-15-20(24(31-3)27-23(19)14-17)16-29-12-10-25(11-13-29,28-18(2)30)21-6-4-5-7-22(21)26/h4-9,14-15H,10-13,16H2,1-3H3,(H,28,30)
InChIKeyFACPKLVTSGLRTD-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.32
Rot. Bonds5

About N-[4-(2-fluorophenyl)-1-[(2-methoxy-7-methylquinolin-3-yl)methyl]piperidin-4-yl]acetamide

N-[4-(2-fluorophenyl)-1-[(2-methoxy-7-methylquinolin-3-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 46966140) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[4-(2-fluorophenyl)-1-[(2-methoxy-7-methylquinolin-3-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenyl)-1-[(2-methoxy-7-methylquinolin-3-yl)methyl]piperidin-4-yl]acetamide
PubChem CID46966140
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC NameN-[4-(2-fluorophenyl)-1-[(2-methoxy-7-methylquinolin-3-yl)methyl]piperidin-4-yl]acetamide
SMILESCOc1nc2cc(C)ccc2cc1CN1CCC(NC(C)=O)(c2ccccc2F)CC1
InChIInChI=1S/C25H28FN3O2/c1-17-8-9-19-15-20(24(31-3)27-23(19)14-17)16-29-12-10-25(11-13-29,28-18(2)30)21-6-4-5-7-22(21)26/h4-9,14-15H,10-13,16H2,1-3H3,(H,28,30)
InChIKeyFACPKLVTSGLRTD-UHFFFAOYSA-N
XLogP4.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenyl)-1-[(2-methoxy-7-methylquinolin-3-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[4-(2-fluorophenyl)-1-[(2-methoxy-7-methylquinolin-3-yl)methyl]piperidin-4-yl]acetamide (CID 46966140) is N-[4-(2-fluorophenyl)-1-[(2-methoxy-7-methylquinolin-3-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-(2-fluorophenyl)-1-[(2-methoxy-7-methylquinolin-3-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-(2-fluorophenyl)-1-[(2-methoxy-7-methylquinolin-3-yl)methyl]piperidin-4-yl]acetamide is COc1nc2cc(C)ccc2cc1CN1CCC(NC(C)=O)(c2ccccc2F)CC1.
What is the InChIKey of N-[4-(2-fluorophenyl)-1-[(2-methoxy-7-methylquinolin-3-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is FACPKLVTSGLRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c1-17-8-9-19-15-20(24(31-3)27-23(19)14-17)16-29-12-10-25(11-13-29,28-18(2)30)21-6-4-5-7-22(21)26/h4-9,14-15H,10-13,16H2,1-3H3,(H,28,30).
What are the key properties of N-[4-(2-fluorophenyl)-1-[(2-methoxy-7-methylquinolin-3-yl)methyl]piperidin-4-yl]acetamide?
N-[4-(2-fluorophenyl)-1-[(2-methoxy-7-methylquinolin-3-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 421.52 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenyl)-1-[(2-methoxy-7-methylquinolin-3-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 46966140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).