[1-[(5-chloropyridine-2-carbonyl)amino]piperidin-4-yl]carbamic acid

C12H15ClN4O3 — CID 146457795

IUPAC[1-[(5-chloropyridine-2-carbonyl)amino]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(NC(=O)c2ccc(Cl)cn2)CC1
InChIInChI=1S/C12H15ClN4O3/c13-8-1-2-10(14-7-8)11(18)16-17-5-3-9(4-6-17)15-12(19)20/h1-2,7,9,15H,3-6H2,(H,16,18)(H,19,20)
InChIKeyXLXFIFWICCIOLA-UHFFFAOYSA-N
MW298.73 g/mol
LogP1.11
Rot. Bonds3

About [1-[(5-chloropyridine-2-carbonyl)amino]piperidin-4-yl]carbamic acid

[1-[(5-chloropyridine-2-carbonyl)amino]piperidin-4-yl]carbamic acid (PubChem CID 146457795) has the molecular formula C12H15ClN4O3 and a molecular weight of 298.73 g/mol. Its IUPAC name is [1-[(5-chloropyridine-2-carbonyl)amino]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(5-chloropyridine-2-carbonyl)amino]piperidin-4-yl]carbamic acid
PubChem CID146457795
Molecular FormulaC12H15ClN4O3
Molecular Weight298.73 g/mol
Exact Mass298.08
IUPAC Name[1-[(5-chloropyridine-2-carbonyl)amino]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(NC(=O)c2ccc(Cl)cn2)CC1
InChIInChI=1S/C12H15ClN4O3/c13-8-1-2-10(14-7-8)11(18)16-17-5-3-9(4-6-17)15-12(19)20/h1-2,7,9,15H,3-6H2,(H,16,18)(H,19,20)
InChIKeyXLXFIFWICCIOLA-UHFFFAOYSA-N
XLogP1.11
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloropyridine-2-carbonyl)amino]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[(5-chloropyridine-2-carbonyl)amino]piperidin-4-yl]carbamic acid (CID 146457795) is [1-[(5-chloropyridine-2-carbonyl)amino]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[(5-chloropyridine-2-carbonyl)amino]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[(5-chloropyridine-2-carbonyl)amino]piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(NC(=O)c2ccc(Cl)cn2)CC1.
What is the InChIKey of [1-[(5-chloropyridine-2-carbonyl)amino]piperidin-4-yl]carbamic acid?
The InChIKey is XLXFIFWICCIOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O3/c13-8-1-2-10(14-7-8)11(18)16-17-5-3-9(4-6-17)15-12(19)20/h1-2,7,9,15H,3-6H2,(H,16,18)(H,19,20).
What are the key properties of [1-[(5-chloropyridine-2-carbonyl)amino]piperidin-4-yl]carbamic acid?
[1-[(5-chloropyridine-2-carbonyl)amino]piperidin-4-yl]carbamic acid has a molecular weight of 298.73 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloropyridine-2-carbonyl)amino]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 146457795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).