N-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide

C20H20FN3O2 — CID 118772653

IUPACN-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide
SMILESO=C1NCCN(C(=O)Nc2cccc3c2CCC3)C1c1cccc(F)c1
InChIInChI=1S/C20H20FN3O2/c21-15-7-1-6-14(12-15)18-19(25)22-10-11-24(18)20(26)23-17-9-3-5-13-4-2-8-16(13)17/h1,3,5-7,9,12,18H,2,4,8,10-11H2,(H,22,25)(H,23,26)
InChIKeyZGPGXUAUGNOLJA-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.02
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide

N-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide (PubChem CID 118772653) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide
PubChem CID118772653
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide
SMILESO=C1NCCN(C(=O)Nc2cccc3c2CCC3)C1c1cccc(F)c1
InChIInChI=1S/C20H20FN3O2/c21-15-7-1-6-14(12-15)18-19(25)22-10-11-24(18)20(26)23-17-9-3-5-13-4-2-8-16(13)17/h1,3,5-7,9,12,18H,2,4,8,10-11H2,(H,22,25)(H,23,26)
InChIKeyZGPGXUAUGNOLJA-UHFFFAOYSA-N
XLogP3.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 97451816
2-benzyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
CID 72938535
(2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide
CID 125441244
(3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one
CID 95147843
3-(3-fluorophenyl)-4-[1-(methoxymethyl)cyclobutanecarbonyl]piperazin-2-one
CID 74248815
(3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one
CID 95136778
(2R)-N-(2,3-dihydro-1H-inden-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
CID 125158817
(3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one
CID 126430821
3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one
CID 77090341
(3S)-4-[2-(1H-benzimidazol-2-yl)acetyl]-3-(3-fluorophenyl)piperazin-2-one
CID 126453334
(3S)-4-[4-(3-aminopropoxy)benzoyl]-3-(3-fluorophenyl)piperazin-2-one
CID 125168382
(3S)-3-(3-fluorophenyl)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperazin-2-one
CID 99945587

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide (CID 118772653) is N-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide is O=C1NCCN(C(=O)Nc2cccc3c2CCC3)C1c1cccc(F)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide?
The InChIKey is ZGPGXUAUGNOLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-15-7-1-6-14(12-15)18-19(25)22-10-11-24(18)20(26)23-17-9-3-5-13-4-2-8-16(13)17/h1,3,5-7,9,12,18H,2,4,8,10-11H2,(H,22,25)(H,23,26).
What are the key properties of N-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide?
N-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 118772653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).