[(2-chloropyrimidin-4-yl)-piperidin-4-ylmethyl]carbamic acid

C11H15ClN4O2 — CID 22052475

IUPAC[(2-chloropyrimidin-4-yl)-piperidin-4-ylmethyl]carbamic acid
SMILESO=C(O)NC(c1ccnc(Cl)n1)C1CCNCC1
InChIInChI=1S/C11H15ClN4O2/c12-10-14-6-3-8(15-10)9(16-11(17)18)7-1-4-13-5-2-7/h3,6-7,9,13,16H,1-2,4-5H2,(H,17,18)
InChIKeyFXESWQHCVHDWBF-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.44
Rot. Bonds3

About [(2-chloropyrimidin-4-yl)-piperidin-4-ylmethyl]carbamic acid

[(2-chloropyrimidin-4-yl)-piperidin-4-ylmethyl]carbamic acid (PubChem CID 22052475) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is [(2-chloropyrimidin-4-yl)-piperidin-4-ylmethyl]carbamic acid.

Molecular Properties

Compound Name[(2-chloropyrimidin-4-yl)-piperidin-4-ylmethyl]carbamic acid
PubChem CID22052475
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name[(2-chloropyrimidin-4-yl)-piperidin-4-ylmethyl]carbamic acid
SMILESO=C(O)NC(c1ccnc(Cl)n1)C1CCNCC1
InChIInChI=1S/C11H15ClN4O2/c12-10-14-6-3-8(15-10)9(16-11(17)18)7-1-4-13-5-2-7/h3,6-7,9,13,16H,1-2,4-5H2,(H,17,18)
InChIKeyFXESWQHCVHDWBF-UHFFFAOYSA-N
XLogP1.44
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2-chloropyrimidin-4-yl)-piperidin-4-ylmethyl]carbamic acid?
The IUPAC name of [(2-chloropyrimidin-4-yl)-piperidin-4-ylmethyl]carbamic acid (CID 22052475) is [(2-chloropyrimidin-4-yl)-piperidin-4-ylmethyl]carbamic acid.
What is the SMILES notation for [(2-chloropyrimidin-4-yl)-piperidin-4-ylmethyl]carbamic acid?
The canonical SMILES for [(2-chloropyrimidin-4-yl)-piperidin-4-ylmethyl]carbamic acid is O=C(O)NC(c1ccnc(Cl)n1)C1CCNCC1.
What is the InChIKey of [(2-chloropyrimidin-4-yl)-piperidin-4-ylmethyl]carbamic acid?
The InChIKey is FXESWQHCVHDWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c12-10-14-6-3-8(15-10)9(16-11(17)18)7-1-4-13-5-2-7/h3,6-7,9,13,16H,1-2,4-5H2,(H,17,18).
What are the key properties of [(2-chloropyrimidin-4-yl)-piperidin-4-ylmethyl]carbamic acid?
[(2-chloropyrimidin-4-yl)-piperidin-4-ylmethyl]carbamic acid has a molecular weight of 270.72 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloropyrimidin-4-yl)-piperidin-4-ylmethyl]carbamic acid is sourced from PubChem (CID 22052475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).