N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide

C21H24FN5O3 — CID 53371058

IUPACN-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C21H24FN5O3/c1-14(20(29)25-17-6-2-15(3-7-17)19(23)28)24-21(30)27-12-10-26(11-13-27)18-8-4-16(22)5-9-18/h2-9,14H,10-13H2,1H3,(H2,23,28)(H,24,30)(H,25,29)
InChIKeyHVXFCMLPGOVJLK-UHFFFAOYSA-N
MW413.45 g/mol
LogP1.78
Rot. Bonds5

About N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide

N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 53371058) has the molecular formula C21H24FN5O3 and a molecular weight of 413.45 g/mol. Its IUPAC name is N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID53371058
Molecular FormulaC21H24FN5O3
Molecular Weight413.45 g/mol
Exact Mass413.19
IUPAC NameN-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C21H24FN5O3/c1-14(20(29)25-17-6-2-15(3-7-17)19(23)28)24-21(30)27-12-10-26(11-13-27)18-8-4-16(22)5-9-18/h2-9,14H,10-13H2,1H3,(H2,23,28)(H,24,30)(H,25,29)
InChIKeyHVXFCMLPGOVJLK-UHFFFAOYSA-N
XLogP1.78
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 52900101
4-(4-fluorophenyl)-N-[1-oxo-1-(pyridin-3-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 53370495
4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 95395014
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 52900769
4-(4-fluorophenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 53370215
4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 53368702
[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea
CID 46697484
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
ethyl 4-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112811
N-[(2S)-1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52897814

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide (CID 53371058) is N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide is CC(NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is HVXFCMLPGOVJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O3/c1-14(20(29)25-17-6-2-15(3-7-17)19(23)28)24-21(30)27-12-10-26(11-13-27)18-8-4-16(22)5-9-18/h2-9,14H,10-13H2,1H3,(H2,23,28)(H,24,30)(H,25,29).
What are the key properties of N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 413.45 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 53371058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).