3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide

C16H22FN3O2 — CID 86799909

IUPAC3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCCC(CC(N)=O)C2)cc1F
InChIInChI=1S/C16H22FN3O2/c1-2-12-5-6-13(9-14(12)17)19-16(22)20-7-3-4-11(10-20)8-15(18)21/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,18,21)(H,19,22)
InChIKeyUMQYBKLXIRWEQO-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.51
Rot. Bonds4

About 3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide

3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide (PubChem CID 86799909) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide
PubChem CID86799909
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCCC(CC(N)=O)C2)cc1F
InChIInChI=1S/C16H22FN3O2/c1-2-12-5-6-13(9-14(12)17)19-16(22)20-7-3-4-11(10-20)8-15(18)21/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,18,21)(H,19,22)
InChIKeyUMQYBKLXIRWEQO-UHFFFAOYSA-N
XLogP2.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124594461
(3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
CID 99715459
1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087514
N-(4-ethyl-3-fluorophenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 75518465
(3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide
CID 164634113
2-[1-[(4-ethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689955
3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 63766361
(3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide
CID 99703959
N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide
CID 79159528
ethyl 1-[(3-fluoro-4-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 3860710
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
(3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide
CID 99581180

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide (CID 86799909) is 3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide is CCc1ccc(NC(=O)N2CCCC(CC(N)=O)C2)cc1F.
What is the InChIKey of 3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is UMQYBKLXIRWEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-2-12-5-6-13(9-14(12)17)19-16(22)20-7-3-4-11(10-20)8-15(18)21/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of 3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide?
3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 86799909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).