N-[2-(2-fluorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

C26H30FN3O4 — CID 55779086

IUPACN-[2-(2-fluorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCOc1cccc(N2CC(C(=O)N3CCC(C(=O)NCCc4ccccc4F)CC3)CC2=O)c1
InChIInChI=1S/C26H30FN3O4/c1-34-22-7-4-6-21(16-22)30-17-20(15-24(30)31)26(33)29-13-10-19(11-14-29)25(32)28-12-9-18-5-2-3-8-23(18)27/h2-8,16,19-20H,9-15,17H2,1H3,(H,28,32)
InChIKeyWRDMDPYWDOUZGR-UHFFFAOYSA-N
MW467.54 g/mol
LogP2.78
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 55779086) has the molecular formula C26H30FN3O4 and a molecular weight of 467.54 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID55779086
Molecular FormulaC26H30FN3O4
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCOc1cccc(N2CC(C(=O)N3CCC(C(=O)NCCc4ccccc4F)CC3)CC2=O)c1
InChIInChI=1S/C26H30FN3O4/c1-34-22-7-4-6-21(16-22)30-17-20(15-24(30)31)26(33)29-13-10-19(11-14-29)25(32)28-12-9-18-5-2-3-8-23(18)27/h2-8,16,19-20H,9-15,17H2,1H3,(H,28,32)
InChIKeyWRDMDPYWDOUZGR-UHFFFAOYSA-N
XLogP2.78
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46558078
N-[2-(4-methoxyphenyl)ethyl]-1-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 39353527
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274
1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 9388657
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
N-(2-methoxyethyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118564
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
N-[2-(2-fluorophenyl)ethyl]-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 55779188
N-[2-(2-fluorophenyl)ethyl]-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189825
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 29129258
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (CID 55779086) is N-[2-(2-fluorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is COc1cccc(N2CC(C(=O)N3CCC(C(=O)NCCc4ccccc4F)CC3)CC2=O)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is WRDMDPYWDOUZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O4/c1-34-22-7-4-6-21(16-22)30-17-20(15-24(30)31)26(33)29-13-10-19(11-14-29)25(32)28-12-9-18-5-2-3-8-23(18)27/h2-8,16,19-20H,9-15,17H2,1H3,(H,28,32).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 467.54 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 55779086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).