(2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

C21H25FN4O3 — CID 68574069

IUPAC(2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESNC(=O)COC(=O)NCCC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C21H25FN4O3/c22-18-4-1-16(2-5-18)17-3-6-20(25-13-17)26-11-8-15(9-12-26)7-10-24-21(28)29-14-19(23)27/h1-6,13,15H,7-12,14H2,(H2,23,27)(H,24,28)
InChIKeyNLWNHRDACYYCLS-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.71
Rot. Bonds7

About (2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

(2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (PubChem CID 68574069) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
PubChem CID68574069
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name(2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESNC(=O)COC(=O)NCCC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C21H25FN4O3/c22-18-4-1-16(2-5-18)17-3-6-20(25-13-17)26-11-8-15(9-12-26)7-10-24-21(28)29-14-19(23)27/h1-6,13,15H,7-12,14H2,(H2,23,27)(H,24,28)
InChIKeyNLWNHRDACYYCLS-UHFFFAOYSA-N
XLogP2.71
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate with MolForge

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Related Compounds

(2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate
CID 58032759
1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 44623659
(2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate
CID 68573837
(2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
CID 68573795
(2-amino-2-oxoethyl) N-[2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]carbamate
CID 123162350
(2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 68574049
(2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 68573821
1,3-thiazol-5-ylmethyl N-[2-[1-[5-(4-cyanophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 140567344
[2-(methylamino)-2-oxoethyl] N-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 123852280
2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid
CID 66660711
2-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
CID 67134387
(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-(6-fluoroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate
CID 66660907

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The IUPAC name of (2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (CID 68574069) is (2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for (2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for (2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is NC(=O)COC(=O)NCCC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1.
What is the InChIKey of (2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The InChIKey is NLWNHRDACYYCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3/c22-18-4-1-16(2-5-18)17-3-6-20(25-13-17)26-11-8-15(9-12-26)7-10-24-21(28)29-14-19(23)27/h1-6,13,15H,7-12,14H2,(H2,23,27)(H,24,28).
What are the key properties of (2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
(2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate has a molecular weight of 400.45 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 68574069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).