N-[2-(2-fluorophenyl)ethyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide

C21H26FN5O3 — CID 46084602

IUPACN-[2-(2-fluorophenyl)ethyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide
SMILESCOCC(=O)Nc1ccc(N2CCN(C(=O)NCCc3ccccc3F)CC2)nc1
InChIInChI=1S/C21H26FN5O3/c1-30-15-20(28)25-17-6-7-19(24-14-17)26-10-12-27(13-11-26)21(29)23-9-8-16-4-2-3-5-18(16)22/h2-7,14H,8-13,15H2,1H3,(H,23,29)(H,25,28)
InChIKeyYDOLEMCJEVZXOS-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.88
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide

N-[2-(2-fluorophenyl)ethyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 46084602) has the molecular formula C21H26FN5O3 and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide
PubChem CID46084602
Molecular FormulaC21H26FN5O3
Molecular Weight415.47 g/mol
Exact Mass415.20
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide
SMILESCOCC(=O)Nc1ccc(N2CCN(C(=O)NCCc3ccccc3F)CC2)nc1
InChIInChI=1S/C21H26FN5O3/c1-30-15-20(28)25-17-6-7-19(24-14-17)26-10-12-27(13-11-26)21(29)23-9-8-16-4-2-3-5-18(16)22/h2-7,14H,8-13,15H2,1H3,(H,23,29)(H,25,28)
InChIKeyYDOLEMCJEVZXOS-UHFFFAOYSA-N
XLogP1.88
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-fluorophenyl)ethyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113011252
4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109057
N-[6-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 46053309
N-[2-(2-methoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33384548
1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone
CID 141044306
N-[2-(2-fluorophenyl)ethyl]-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113109055
N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
CID 113103148
N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide
CID 69454094
4-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109046
N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51274238
N-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 46053392
2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide
CID 42857339

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide (CID 46084602) is N-[2-(2-fluorophenyl)ethyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide is COCC(=O)Nc1ccc(N2CCN(C(=O)NCCc3ccccc3F)CC2)nc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is YDOLEMCJEVZXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O3/c1-30-15-20(28)25-17-6-7-19(24-14-17)26-10-12-27(13-11-26)21(29)23-9-8-16-4-2-3-5-18(16)22/h2-7,14H,8-13,15H2,1H3,(H,23,29)(H,25,28).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 46084602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).