1-(2-amino-2-oxoethyl)-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide

C18H21FN4O3 — CID 131897483

IUPAC1-(2-amino-2-oxoethyl)-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
SMILESNC(=O)CN1CCCC(C(=O)NCc2cc(-c3ccccc3F)no2)C1
InChIInChI=1S/C18H21FN4O3/c19-15-6-2-1-5-14(15)16-8-13(26-22-16)9-21-18(25)12-4-3-7-23(10-12)11-17(20)24/h1-2,5-6,8,12H,3-4,7,9-11H2,(H2,20,24)(H,21,25)
InChIKeyBMLRCSSAMZGEPB-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.29
Rot. Bonds6

About 1-(2-amino-2-oxoethyl)-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide

1-(2-amino-2-oxoethyl)-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 131897483) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID131897483
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name1-(2-amino-2-oxoethyl)-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
SMILESNC(=O)CN1CCCC(C(=O)NCc2cc(-c3ccccc3F)no2)C1
InChIInChI=1S/C18H21FN4O3/c19-15-6-2-1-5-14(15)16-8-13(26-22-16)9-21-18(25)12-4-3-7-23(10-12)11-17(20)24/h1-2,5-6,8,12H,3-4,7,9-11H2,(H2,20,24)(H,21,25)
InChIKeyBMLRCSSAMZGEPB-UHFFFAOYSA-N
XLogP1.29
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide
CID 130347890
2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110258535
1-(2-amino-2-oxoethyl)-N-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]piperidine-3-carboxamide
CID 131937690
(3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 97151070
(3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 97146004
(3S)-1-(2-amino-2-oxoethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 97110435
1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 46998796
2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
CID 138465240
1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 20860003
1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 131902477
1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 48731280
1-(1-benzylpiperidin-4-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 56861008

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide (CID 131897483) is 1-(2-amino-2-oxoethyl)-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide is NC(=O)CN1CCCC(C(=O)NCc2cc(-c3ccccc3F)no2)C1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is BMLRCSSAMZGEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c19-15-6-2-1-5-14(15)16-8-13(26-22-16)9-21-18(25)12-4-3-7-23(10-12)11-17(20)24/h1-2,5-6,8,12H,3-4,7,9-11H2,(H2,20,24)(H,21,25).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide?
1-(2-amino-2-oxoethyl)-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 131897483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).