(5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one

C19H26FN3O2 — CID 95740139

IUPAC(5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one
SMILESCCN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccc(F)c2)CC1
InChIInChI=1S/C19H26FN3O2/c1-3-22-9-11-23(12-10-22)19(25)16-7-8-17(24)21(2)18(16)14-5-4-6-15(20)13-14/h4-6,13,16,18H,3,7-12H2,1-2H3/t16-,18+/m1/s1
InChIKeyRKKDHZDEKMZPFY-AEFFLSMTSA-N
MW347.43 g/mol
LogP1.90
Rot. Bonds3

About (5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one

(5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one (PubChem CID 95740139) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is (5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one
PubChem CID95740139
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name(5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one
SMILESCCN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccc(F)c2)CC1
InChIInChI=1S/C19H26FN3O2/c1-3-22-9-11-23(12-10-22)19(25)16-7-8-17(24)21(2)18(16)14-5-4-6-15(20)13-14/h4-6,13,16,18H,3,7-12H2,1-2H3/t16-,18+/m1/s1
InChIKeyRKKDHZDEKMZPFY-AEFFLSMTSA-N
XLogP1.90
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,6S)-6-(3-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 95740162
(5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95740187
(5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one
CID 95740180
(5R,6S)-5-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(3-fluorophenyl)-1-methylpiperidin-2-one
CID 95740114
(4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740528
(4R,5R)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740527
1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one
CID 56730517
(5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
CID 97457697
(2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 95740179
(5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
CID 95740004
2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
CID 71689537
5-(3-fluorophenyl)-4-methyl-6-(4-prop-2-enyl-1,4-diazepane-1-carbonyl)morpholin-3-one
CID 110280908

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one?
The IUPAC name of (5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one (CID 95740139) is (5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one.
What is the SMILES notation for (5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one?
The canonical SMILES for (5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one is CCN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccc(F)c2)CC1.
What is the InChIKey of (5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one?
The InChIKey is RKKDHZDEKMZPFY-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-3-22-9-11-23(12-10-22)19(25)16-7-8-17(24)21(2)18(16)14-5-4-6-15(20)13-14/h4-6,13,16,18H,3,7-12H2,1-2H3/t16-,18+/m1/s1.
What are the key properties of (5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one?
(5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one has a molecular weight of 347.43 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one is sourced from PubChem (CID 95740139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).