N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C25H32FN3O3 — CID 3245128

IUPACN-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCC(=O)N(c2ccc(OC)cc2)C1c1ccc(F)cc1
InChIInChI=1S/C25H32FN3O3/c1-4-28(5-2)17-16-27-25(31)22-14-15-23(30)29(20-10-12-21(32-3)13-11-20)24(22)18-6-8-19(26)9-7-18/h6-13,22,24H,4-5,14-17H2,1-3H3,(H,27,31)
InChIKeyZCUPOLWRUCJKLR-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.78
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 3245128) has the molecular formula C25H32FN3O3 and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID3245128
Molecular FormulaC25H32FN3O3
Molecular Weight441.55 g/mol
Exact Mass441.24
IUPAC NameN-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCC(=O)N(c2ccc(OC)cc2)C1c1ccc(F)cc1
InChIInChI=1S/C25H32FN3O3/c1-4-28(5-2)17-16-27-25(31)22-14-15-23(30)29(20-10-12-21(32-3)13-11-20)24(22)18-6-8-19(26)9-7-18/h6-13,22,24H,4-5,14-17H2,1-3H3,(H,27,31)
InChIKeyZCUPOLWRUCJKLR-UHFFFAOYSA-N
XLogP3.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 3245128) is N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is CCN(CC)CCNC(=O)C1CCC(=O)N(c2ccc(OC)cc2)C1c1ccc(F)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is ZCUPOLWRUCJKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O3/c1-4-28(5-2)17-16-27-25(31)22-14-15-23(30)29(20-10-12-21(32-3)13-11-20)24(22)18-6-8-19(26)9-7-18/h6-13,22,24H,4-5,14-17H2,1-3H3,(H,27,31).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 3245128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).