4-[2-(4-fluorophenoxy)ethyl]-1-(3-methoxybenzoyl)-N-methylpiperazine-2-carboxamide

C22H26FN3O4 — CID 24733035

IUPAC4-[2-(4-fluorophenoxy)ethyl]-1-(3-methoxybenzoyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(CCOc2ccc(F)cc2)CCN1C(=O)c1cccc(OC)c1
InChIInChI=1S/C22H26FN3O4/c1-24-21(27)20-15-25(12-13-30-18-8-6-17(23)7-9-18)10-11-26(20)22(28)16-4-3-5-19(14-16)29-2/h3-9,14,20H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyMUMGMYDNKBYPOT-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.79
Rot. Bonds7

About 4-[2-(4-fluorophenoxy)ethyl]-1-(3-methoxybenzoyl)-N-methylpiperazine-2-carboxamide

4-[2-(4-fluorophenoxy)ethyl]-1-(3-methoxybenzoyl)-N-methylpiperazine-2-carboxamide (PubChem CID 24733035) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-[2-(4-fluorophenoxy)ethyl]-1-(3-methoxybenzoyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenoxy)ethyl]-1-(3-methoxybenzoyl)-N-methylpiperazine-2-carboxamide
PubChem CID24733035
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC Name4-[2-(4-fluorophenoxy)ethyl]-1-(3-methoxybenzoyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(CCOc2ccc(F)cc2)CCN1C(=O)c1cccc(OC)c1
InChIInChI=1S/C22H26FN3O4/c1-24-21(27)20-15-25(12-13-30-18-8-6-17(23)7-9-18)10-11-26(20)22(28)16-4-3-5-19(14-16)29-2/h3-9,14,20H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyMUMGMYDNKBYPOT-UHFFFAOYSA-N
XLogP1.79
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 134055069
1-(3,4-difluorobenzoyl)-4-ethyl-N-methylpiperazine-2-carboxamide
CID 24733104
4-benzyl-N-[2-(dimethylamino)ethyl]-1-(3-methoxybenzoyl)piperazine-2-carboxamide
CID 24730622
4-[3-(3-cyanophenoxy)propyl]-N-methyl-1-(morpholine-4-carbonyl)piperazine-2-carboxamide
CID 24733789
(2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 51606138
(2R)-1-acetyl-4-[3-(3-fluorophenoxy)propanoyl]-N-methylpiperazine-2-carboxamide
CID 124943012
3-[[1-(3,4-difluorobenzoyl)-3-(3-methoxybenzoyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 23932819
4-benzyl-N-methyl-1-[3-(pyrimidin-2-ylamino)benzoyl]piperazine-2-carboxamide
CID 110076313
(3-fluorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638138
[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 3488973
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 33323201
3-[[1-(3,4-dimethoxybenzoyl)-3-(3-methoxybenzoyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 23854577

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenoxy)ethyl]-1-(3-methoxybenzoyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of 4-[2-(4-fluorophenoxy)ethyl]-1-(3-methoxybenzoyl)-N-methylpiperazine-2-carboxamide (CID 24733035) is 4-[2-(4-fluorophenoxy)ethyl]-1-(3-methoxybenzoyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-fluorophenoxy)ethyl]-1-(3-methoxybenzoyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 4-[2-(4-fluorophenoxy)ethyl]-1-(3-methoxybenzoyl)-N-methylpiperazine-2-carboxamide is CNC(=O)C1CN(CCOc2ccc(F)cc2)CCN1C(=O)c1cccc(OC)c1.
What is the InChIKey of 4-[2-(4-fluorophenoxy)ethyl]-1-(3-methoxybenzoyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is MUMGMYDNKBYPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-24-21(27)20-15-25(12-13-30-18-8-6-17(23)7-9-18)10-11-26(20)22(28)16-4-3-5-19(14-16)29-2/h3-9,14,20H,10-13,15H2,1-2H3,(H,24,27).
What are the key properties of 4-[2-(4-fluorophenoxy)ethyl]-1-(3-methoxybenzoyl)-N-methylpiperazine-2-carboxamide?
4-[2-(4-fluorophenoxy)ethyl]-1-(3-methoxybenzoyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenoxy)ethyl]-1-(3-methoxybenzoyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 24733035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).