(2-amino-2-oxoethyl)-[[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methyl]carbamic acid

C14H19BrN4O3 — CID 67136190

IUPAC(2-amino-2-oxoethyl)-[[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methyl]carbamic acid
SMILESNC(=O)CN(CC1CCN(c2ncccc2Br)CC1)C(=O)O
InChIInChI=1S/C14H19BrN4O3/c15-11-2-1-5-17-13(11)18-6-3-10(4-7-18)8-19(14(21)22)9-12(16)20/h1-2,5,10H,3-4,6-9H2,(H2,16,20)(H,21,22)
InChIKeyYAJGKLIHTWYFPX-UHFFFAOYSA-N
MW371.24 g/mol
LogP1.53
Rot. Bonds5

About (2-amino-2-oxoethyl)-[[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methyl]carbamic acid

(2-amino-2-oxoethyl)-[[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methyl]carbamic acid (PubChem CID 67136190) has the molecular formula C14H19BrN4O3 and a molecular weight of 371.24 g/mol. Its IUPAC name is (2-amino-2-oxoethyl)-[[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methyl]carbamic acid.

Molecular Properties

Compound Name(2-amino-2-oxoethyl)-[[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methyl]carbamic acid
PubChem CID67136190
Molecular FormulaC14H19BrN4O3
Molecular Weight371.24 g/mol
Exact Mass370.06
IUPAC Name(2-amino-2-oxoethyl)-[[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methyl]carbamic acid
SMILESNC(=O)CN(CC1CCN(c2ncccc2Br)CC1)C(=O)O
InChIInChI=1S/C14H19BrN4O3/c15-11-2-1-5-17-13(11)18-6-3-10(4-7-18)8-19(14(21)22)9-12(16)20/h1-2,5,10H,3-4,6-9H2,(H2,16,20)(H,21,22)
InChIKeyYAJGKLIHTWYFPX-UHFFFAOYSA-N
XLogP1.53
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 51.53
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-(3-bromo-2-pyridinyl)piperidin-4-yl]methyl]carbamic acid?
The IUPAC name of (2-amino-2-oxoethyl)-[[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methyl]carbamic acid (CID 67136190) is (2-amino-2-oxoethyl)-[[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methyl]carbamic acid.
What is the SMILES notation for (2-amino-2-oxoethyl)-[[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methyl]carbamic acid?
The canonical SMILES for (2-amino-2-oxoethyl)-[[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methyl]carbamic acid is NC(=O)CN(CC1CCN(c2ncccc2Br)CC1)C(=O)O.
What is the InChIKey of (2-amino-2-oxoethyl)-[[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methyl]carbamic acid?
The InChIKey is YAJGKLIHTWYFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O3/c15-11-2-1-5-17-13(11)18-6-3-10(4-7-18)8-19(14(21)22)9-12(16)20/h1-2,5,10H,3-4,6-9H2,(H2,16,20)(H,21,22).
What are the key properties of (2-amino-2-oxoethyl)-[[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methyl]carbamic acid?
(2-amino-2-oxoethyl)-[[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methyl]carbamic acid has a molecular weight of 371.24 g/mol, XLogP of 1.53, 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-(3-bromo-2-pyridinyl)piperidin-4-yl]methyl]carbamic acid is sourced from PubChem (CID 67136190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).