(3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide

C15H20FN3O2 — CID 99715459

IUPAC(3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
SMILESCc1c(F)cccc1NC(=O)N1CCC[C@H](CC(N)=O)C1
InChIInChI=1S/C15H20FN3O2/c1-10-12(16)5-2-6-13(10)18-15(21)19-7-3-4-11(9-19)8-14(17)20/h2,5-6,11H,3-4,7-9H2,1H3,(H2,17,20)(H,18,21)/t11-/m1/s1
InChIKeyBXNOGVFQJBADLB-LLVKDONJSA-N
MW293.34 g/mol
LogP2.25
Rot. Bonds3

About (3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide

(3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide (PubChem CID 99715459) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is (3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
PubChem CID99715459
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name(3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
SMILESCc1c(F)cccc1NC(=O)N1CCC[C@H](CC(N)=O)C1
InChIInChI=1S/C15H20FN3O2/c1-10-12(16)5-2-6-13(10)18-15(21)19-7-3-4-11(9-19)8-14(17)20/h2,5-6,11H,3-4,7-9H2,1H3,(H2,17,20)(H,18,21)/t11-/m1/s1
InChIKeyBXNOGVFQJBADLB-LLVKDONJSA-N
XLogP2.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide
CID 86799909
(3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide
CID 99581180
ethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate
CID 87044646
(3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide
CID 99584331
(3R)-N-(2-fluorophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 94139041
(2R)-1-[(3-fluoro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922581
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
3-amino-N-(2-methyl-3-phenylphenyl)piperidine-1-carboxamide
CID 135146828
3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
CID 91907884
N-(3-fluoro-2-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 119920472
N-(2-carbamimidoyl-3-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 79162888
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide (CID 99715459) is (3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide is Cc1c(F)cccc1NC(=O)N1CCC[C@H](CC(N)=O)C1.
What is the InChIKey of (3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide?
The InChIKey is BXNOGVFQJBADLB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-10-12(16)5-2-6-13(10)18-15(21)19-7-3-4-11(9-19)8-14(17)20/h2,5-6,11H,3-4,7-9H2,1H3,(H2,17,20)(H,18,21)/t11-/m1/s1.
What are the key properties of (3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide?
(3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 99715459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).