2-methylbutan-2-yl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate

C18H28FN3O3 — CID 137450623

IUPAC2-methylbutan-2-yl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate
SMILESCCC(C)(C)OC(=O)Nc1cccn(C2CCCN(CCF)C2)c1=O
InChIInChI=1S/C18H28FN3O3/c1-4-18(2,3)25-17(24)20-15-8-6-11-22(16(15)23)14-7-5-10-21(13-14)12-9-19/h6,8,11,14H,4-5,7,9-10,12-13H2,1-3H3,(H,20,24)
InChIKeyFMNKIJIFSVWXPP-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.19
Rot. Bonds6

About 2-methylbutan-2-yl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate

2-methylbutan-2-yl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 137450623) has the molecular formula C18H28FN3O3 and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-methylbutan-2-yl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Name2-methylbutan-2-yl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate
PubChem CID137450623
Molecular FormulaC18H28FN3O3
Molecular Weight353.44 g/mol
Exact Mass353.21
IUPAC Name2-methylbutan-2-yl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate
SMILESCCC(C)(C)OC(=O)Nc1cccn(C2CCCN(CCF)C2)c1=O
InChIInChI=1S/C18H28FN3O3/c1-4-18(2,3)25-17(24)20-15-8-6-11-22(16(15)23)14-7-5-10-21(13-14)12-9-19/h6,8,11,14H,4-5,7,9-10,12-13H2,1-3H3,(H,20,24)
InChIKeyFMNKIJIFSVWXPP-UHFFFAOYSA-N
XLogP3.19
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylbutan-2-yl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)amino]cyclohexyl]carbamate
CID 132224812
tert-butyl 4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)amino]piperidine-1-carboxylate
CID 132224869
tert-butyl N-[1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate
CID 137450350
tert-butyl N-[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]carbamate
CID 137450509
tert-butyl N-[1-(3,3-difluorocyclobutyl)-2-oxopyridin-3-yl]carbamate
CID 137450604
tert-butyl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate
CID 137450617
tert-butyl N-[1-(3-fluoro-1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]carbamate
CID 137450640
tert-butyl N-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridin-3-yl]carbamate
CID 137450696
tert-butyl N-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxopyridin-3-yl]carbamate
CID 137450863
tert-butyl N-[1-[(2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate
CID 137457644
tert-butyl N-[1-(2-fluorocyclopropyl)-2-oxo-3-pyridinyl]carbamate
CID 137457804
tert-butyl N-[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate
CID 139373576

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of 2-methylbutan-2-yl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate (CID 137450623) is 2-methylbutan-2-yl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for 2-methylbutan-2-yl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for 2-methylbutan-2-yl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate is CCC(C)(C)OC(=O)Nc1cccn(C2CCCN(CCF)C2)c1=O.
What is the InChIKey of 2-methylbutan-2-yl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is FMNKIJIFSVWXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O3/c1-4-18(2,3)25-17(24)20-15-8-6-11-22(16(15)23)14-7-5-10-21(13-14)12-9-19/h6,8,11,14H,4-5,7,9-10,12-13H2,1-3H3,(H,20,24).
What are the key properties of 2-methylbutan-2-yl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate?
2-methylbutan-2-yl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 353.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl N-[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137450623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).