(2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide

C19H21FN2O3 — CID 95740179

IUPAC(2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cccc(F)c2)o1
InChIInChI=1S/C19H21FN2O3/c1-12-6-7-15(25-12)11-21-19(24)16-8-9-17(23)22(2)18(16)13-4-3-5-14(20)10-13/h3-7,10,16,18H,8-9,11H2,1-2H3,(H,21,24)/t16-,18-/m0/s1
InChIKeySKWDVHCTYJBPGY-WMZOPIPTSA-N
MW344.39 g/mol
LogP2.95
Rot. Bonds4

About (2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide

(2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 95740179) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is (2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID95740179
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name(2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cccc(F)c2)o1
InChIInChI=1S/C19H21FN2O3/c1-12-6-7-15(25-12)11-21-19(24)16-8-9-17(23)22(2)18(16)13-4-3-5-14(20)10-13/h3-7,10,16,18H,8-9,11H2,1-2H3,(H,21,24)/t16-,18-/m0/s1
InChIKeySKWDVHCTYJBPGY-WMZOPIPTSA-N
XLogP2.95
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457705
N-(furan-2-ylmethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 56730502
2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
CID 71689537
2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 71689521
(2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97457260
2-(3-fluorophenyl)-1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]piperidine-3-carboxamide
CID 91957657
(5S,6S)-6-(3-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 95740162
(2S,3R)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740236
2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 71689628
(5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95740187
(5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one
CID 95740139
(2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457672

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 95740179) is (2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cccc(F)c2)o1.
What is the InChIKey of (2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is SKWDVHCTYJBPGY-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-12-6-7-15(25-12)11-21-19(24)16-8-9-17(23)22(2)18(16)13-4-3-5-14(20)10-13/h3-7,10,16,18H,8-9,11H2,1-2H3,(H,21,24)/t16-,18-/m0/s1.
What are the key properties of (2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
(2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 95740179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).