(2-amino-2-oxoethyl)-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid

C19H21FN4O3 — CID 67136654

IUPAC(2-amino-2-oxoethyl)-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
SMILESNC(=O)CN(C(=O)O)C1CCN(c2cccc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C19H21FN4O3/c20-14-6-4-13(5-7-14)16-2-1-3-18(22-16)23-10-8-15(9-11-23)24(19(26)27)12-17(21)25/h1-7,15H,8-12H2,(H2,21,25)(H,26,27)
InChIKeyWATBVLOLQAEZOG-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.32
Rot. Bonds5

About (2-amino-2-oxoethyl)-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid

(2-amino-2-oxoethyl)-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid (PubChem CID 67136654) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is (2-amino-2-oxoethyl)-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name(2-amino-2-oxoethyl)-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
PubChem CID67136654
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name(2-amino-2-oxoethyl)-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
SMILESNC(=O)CN(C(=O)O)C1CCN(c2cccc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C19H21FN4O3/c20-14-6-4-13(5-7-14)16-2-1-3-18(22-16)23-10-8-15(9-11-23)24(19(26)27)12-17(21)25/h1-7,15H,8-12H2,(H2,21,25)(H,26,27)
InChIKeyWATBVLOLQAEZOG-UHFFFAOYSA-N
XLogP2.32
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl)-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid?
The IUPAC name of (2-amino-2-oxoethyl)-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid (CID 67136654) is (2-amino-2-oxoethyl)-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for (2-amino-2-oxoethyl)-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for (2-amino-2-oxoethyl)-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid is NC(=O)CN(C(=O)O)C1CCN(c2cccc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of (2-amino-2-oxoethyl)-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid?
The InChIKey is WATBVLOLQAEZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c20-14-6-4-13(5-7-14)16-2-1-3-18(22-16)23-10-8-15(9-11-23)24(19(26)27)12-17(21)25/h1-7,15H,8-12H2,(H2,21,25)(H,26,27).
What are the key properties of (2-amino-2-oxoethyl)-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid?
(2-amino-2-oxoethyl)-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid has a molecular weight of 372.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl)-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 67136654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).