4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide

C20H24FN5O2 — CID 95395325

IUPAC4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)NCc1ccccn1
InChIInChI=1S/C20H24FN5O2/c1-15(19(27)23-14-17-4-2-3-9-22-17)24-20(28)26-12-10-25(11-13-26)18-7-5-16(21)6-8-18/h2-9,15H,10-14H2,1H3,(H,23,27)(H,24,28)/t15-/m1/s1
InChIKeyJEYQFYBZVZDBAJ-OAHLLOKOSA-N
MW385.44 g/mol
LogP1.76
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide

4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide (PubChem CID 95395325) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
PubChem CID95395325
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)NCc1ccccn1
InChIInChI=1S/C20H24FN5O2/c1-15(19(27)23-14-17-4-2-3-9-22-17)24-20(28)26-12-10-25(11-13-26)18-7-5-16(21)6-8-18/h2-9,15H,10-14H2,1H3,(H,23,27)(H,24,28)/t15-/m1/s1
InChIKeyJEYQFYBZVZDBAJ-OAHLLOKOSA-N
XLogP1.76
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]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

4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 52897953
4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108404
4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108394
N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52899407
N-[(2R)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95394965
N-[(2S)-1-[(3-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 56723865
4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989094
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 52900101
N-[(2S)-1-[(3-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71964479
4-(4-fluorophenyl)-N-[1-oxo-1-(pyridin-3-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 53370495
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395341

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide (CID 95395325) is 4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide is C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)NCc1ccccn1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide?
The InChIKey is JEYQFYBZVZDBAJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-15(19(27)23-14-17-4-2-3-9-22-17)24-20(28)26-12-10-25(11-13-26)18-7-5-16(21)6-8-18/h2-9,15H,10-14H2,1H3,(H,23,27)(H,24,28)/t15-/m1/s1.
What are the key properties of 4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide?
4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 95395325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).