1-[5-[2-[4-(fluoromethyl)-2-(2-methylpiperidin-1-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-carboxylic acid

C23H29FN4O4 — CID 58428791

IUPAC1-[5-[2-[4-(fluoromethyl)-2-(2-methylpiperidin-1-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCC1CCCCN1c1nc(CF)c(C(=O)Cc2ccc(N3CCC(C(=O)O)CC3)nc2)o1
InChIInChI=1S/C23H29FN4O4/c1-15-4-2-3-9-28(15)23-26-18(13-24)21(32-23)19(29)12-16-5-6-20(25-14-16)27-10-7-17(8-11-27)22(30)31/h5-6,14-15,17H,2-4,7-13H2,1H3,(H,30,31)
InChIKeyQHUKXISTGUGILD-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.64
Rot. Bonds7

About 1-[5-[2-[4-(fluoromethyl)-2-(2-methylpiperidin-1-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-carboxylic acid

1-[5-[2-[4-(fluoromethyl)-2-(2-methylpiperidin-1-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 58428791) has the molecular formula C23H29FN4O4 and a molecular weight of 444.51 g/mol. Its IUPAC name is 1-[5-[2-[4-(fluoromethyl)-2-(2-methylpiperidin-1-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-[2-[4-(fluoromethyl)-2-(2-methylpiperidin-1-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID58428791
Molecular FormulaC23H29FN4O4
Molecular Weight444.51 g/mol
Exact Mass444.22
IUPAC Name1-[5-[2-[4-(fluoromethyl)-2-(2-methylpiperidin-1-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCC1CCCCN1c1nc(CF)c(C(=O)Cc2ccc(N3CCC(C(=O)O)CC3)nc2)o1
InChIInChI=1S/C23H29FN4O4/c1-15-4-2-3-9-28(15)23-26-18(13-24)21(32-23)19(29)12-16-5-6-20(25-14-16)27-10-7-17(8-11-27)22(30)31/h5-6,14-15,17H,2-4,7-13H2,1H3,(H,30,31)
InChIKeyQHUKXISTGUGILD-UHFFFAOYSA-N
XLogP3.64
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-[2-[4-(fluoromethyl)-2-(2-methylpiperidin-1-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-1-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]ethanone
CID 58428755
4-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 58428988
1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone
CID 58429069
1-[5-(aminomethyl)-2-pyridinyl]azepane-4-carboxylic acid
CID 123851313
2-cyclopentyl-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 58428512
5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine
CID 61255734
1-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 58428853
1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one
CID 83888260
tert-butyl 4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 58429036
2,6-difluoro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide
CID 58428550
1-(5-hydroxy-2-pyridinyl)piperidine-4-carboxylic acid
CID 67234813
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[4-(fluoromethyl)-2-(2-methylpiperidin-1-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-[2-[4-(fluoromethyl)-2-(2-methylpiperidin-1-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-carboxylic acid (CID 58428791) is 1-[5-[2-[4-(fluoromethyl)-2-(2-methylpiperidin-1-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-[2-[4-(fluoromethyl)-2-(2-methylpiperidin-1-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-[2-[4-(fluoromethyl)-2-(2-methylpiperidin-1-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-carboxylic acid is CC1CCCCN1c1nc(CF)c(C(=O)Cc2ccc(N3CCC(C(=O)O)CC3)nc2)o1.
What is the InChIKey of 1-[5-[2-[4-(fluoromethyl)-2-(2-methylpiperidin-1-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is QHUKXISTGUGILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O4/c1-15-4-2-3-9-28(15)23-26-18(13-24)21(32-23)19(29)12-16-5-6-20(25-14-16)27-10-7-17(8-11-27)22(30)31/h5-6,14-15,17H,2-4,7-13H2,1H3,(H,30,31).
What are the key properties of 1-[5-[2-[4-(fluoromethyl)-2-(2-methylpiperidin-1-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-carboxylic acid?
1-[5-[2-[4-(fluoromethyl)-2-(2-methylpiperidin-1-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 444.51 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[4-(fluoromethyl)-2-(2-methylpiperidin-1-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 58428791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).