N-[2-(4-fluorophenyl)-1-[1-(quinolin-7-ylmethyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide

C27H32FN3O2 — CID 56854929

IUPACN-[2-(4-fluorophenyl)-1-[1-(quinolin-7-ylmethyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C(Cc1ccc(F)cc1)C1CCN(Cc2ccc3cccnc3c2)CC1
InChIInChI=1S/C27H32FN3O2/c1-30(27(32)19-33-2)26(17-20-6-9-24(28)10-7-20)23-11-14-31(15-12-23)18-21-5-8-22-4-3-13-29-25(22)16-21/h3-10,13,16,23,26H,11-12,14-15,17-19H2,1-2H3
InChIKeyWJOSKRQNJBZMNT-UHFFFAOYSA-N
MW449.57 g/mol
LogP4.30
Rot. Bonds8

About N-[2-(4-fluorophenyl)-1-[1-(quinolin-7-ylmethyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide

N-[2-(4-fluorophenyl)-1-[1-(quinolin-7-ylmethyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide (PubChem CID 56854929) has the molecular formula C27H32FN3O2 and a molecular weight of 449.57 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1-[1-(quinolin-7-ylmethyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1-[1-(quinolin-7-ylmethyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
PubChem CID56854929
Molecular FormulaC27H32FN3O2
Molecular Weight449.57 g/mol
Exact Mass449.25
IUPAC NameN-[2-(4-fluorophenyl)-1-[1-(quinolin-7-ylmethyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C(Cc1ccc(F)cc1)C1CCN(Cc2ccc3cccnc3c2)CC1
InChIInChI=1S/C27H32FN3O2/c1-30(27(32)19-33-2)26(17-20-6-9-24(28)10-7-20)23-11-14-31(15-12-23)18-21-5-8-22-4-3-13-29-25(22)16-21/h3-10,13,16,23,26H,11-12,14-15,17-19H2,1-2H3
InChIKeyWJOSKRQNJBZMNT-UHFFFAOYSA-N
XLogP4.30
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1-[1-(quinolin-7-ylmethyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-1-[1-(quinolin-7-ylmethyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide (CID 56854929) is N-[2-(4-fluorophenyl)-1-[1-(quinolin-7-ylmethyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1-[1-(quinolin-7-ylmethyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-1-[1-(quinolin-7-ylmethyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide is COCC(=O)N(C)C(Cc1ccc(F)cc1)C1CCN(Cc2ccc3cccnc3c2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1-[1-(quinolin-7-ylmethyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide?
The InChIKey is WJOSKRQNJBZMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O2/c1-30(27(32)19-33-2)26(17-20-6-9-24(28)10-7-20)23-11-14-31(15-12-23)18-21-5-8-22-4-3-13-29-25(22)16-21/h3-10,13,16,23,26H,11-12,14-15,17-19H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)-1-[1-(quinolin-7-ylmethyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide?
N-[2-(4-fluorophenyl)-1-[1-(quinolin-7-ylmethyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide has a molecular weight of 449.57 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-1-[1-(quinolin-7-ylmethyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide is sourced from PubChem (CID 56854929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).