4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide

C21H25FN4O3 — CID 95395014

IUPAC4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H25FN4O3/c1-15(20(27)24-17-4-3-5-19(14-17)29-2)23-21(28)26-12-10-25(11-13-26)18-8-6-16(22)7-9-18/h3-9,14-15H,10-13H2,1-2H3,(H,23,28)(H,24,27)/t15-/m1/s1
InChIKeyDPCIXBGRAWLPHO-OAHLLOKOSA-N
MW400.45 g/mol
LogP2.69
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide

4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide (PubChem CID 95395014) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
PubChem CID95395014
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H25FN4O3/c1-15(20(27)24-17-4-3-5-19(14-17)29-2)23-21(28)26-12-10-25(11-13-26)18-8-6-16(22)7-9-18/h3-9,14-15H,10-13H2,1-2H3,(H,23,28)(H,24,27)/t15-/m1/s1
InChIKeyDPCIXBGRAWLPHO-OAHLLOKOSA-N
XLogP2.69
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-[1-oxo-1-(pyridin-3-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 53370495
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 52900101
N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 53371058
N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113577
4-benzyl-N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 71829739
N-[(2S)-1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52897814
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395003
N-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-4-(4-chlorophenyl)piperazine-1-carboxamide
CID 97267720
N-[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-4-(4-chlorophenyl)piperazine-1-carboxamide
CID 71691696
N-[(2S)-1-oxo-1-(3,4,5-trimethoxyanilino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829736
(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25388633

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide (CID 95395014) is 4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide is COc1cccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide?
The InChIKey is DPCIXBGRAWLPHO-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25FN4O3/c1-15(20(27)24-17-4-3-5-19(14-17)29-2)23-21(28)26-12-10-25(11-13-26)18-8-6-16(22)7-9-18/h3-9,14-15H,10-13H2,1-2H3,(H,23,28)(H,24,27)/t15-/m1/s1.
What are the key properties of 4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide?
4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 2.69, 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-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 95395014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).