(3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one

C17H17FN4O2 — CID 95147843

IUPAC(3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one
SMILESCNc1cc(C(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)ccn1
InChIInChI=1S/C17H17FN4O2/c1-19-14-10-12(5-6-20-14)17(24)22-8-7-21-16(23)15(22)11-3-2-4-13(18)9-11/h2-6,9-10,15H,7-8H2,1H3,(H,19,20)(H,21,23)/t15-/m1/s1
InChIKeyBMIPOWUUPIMIHW-OAHLLOKOSA-N
MW328.35 g/mol
LogP1.58
Rot. Bonds3

About (3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one

(3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one (PubChem CID 95147843) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is (3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one
PubChem CID95147843
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name(3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one
SMILESCNc1cc(C(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)ccn1
InChIInChI=1S/C17H17FN4O2/c1-19-14-10-12(5-6-20-14)17(24)22-8-7-21-16(23)15(22)11-3-2-4-13(18)9-11/h2-6,9-10,15H,7-8H2,1H3,(H,19,20)(H,21,23)/t15-/m1/s1
InChIKeyBMIPOWUUPIMIHW-OAHLLOKOSA-N
XLogP1.58
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 77090341
(3S)-4-[4-(3-aminopropoxy)benzoyl]-3-(3-fluorophenyl)piperazin-2-one
CID 125168382
(9aR)-2-[2-(methylamino)pyridine-4-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95121807
N-[3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669936
(2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 97451816
2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
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CID 110657161
(3S)-3-(3-fluorophenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-2-one
CID 97126846
3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one
CID 154568818
N-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide
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(2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one?
The IUPAC name of (3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one (CID 95147843) is (3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one?
The canonical SMILES for (3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one is CNc1cc(C(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)ccn1.
What is the InChIKey of (3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one?
The InChIKey is BMIPOWUUPIMIHW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-19-14-10-12(5-6-20-14)17(24)22-8-7-21-16(23)15(22)11-3-2-4-13(18)9-11/h2-6,9-10,15H,7-8H2,1H3,(H,19,20)(H,21,23)/t15-/m1/s1.
What are the key properties of (3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one?
(3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one has a molecular weight of 328.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one is sourced from PubChem (CID 95147843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).