[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]carbamic acid

C14H15ClN4O2 — CID 87338891

IUPAC[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2nnc(Cl)c3ccccc23)CC1
InChIInChI=1S/C14H15ClN4O2/c15-12-10-3-1-2-4-11(10)13(18-17-12)19-7-5-9(6-8-19)16-14(20)21/h1-4,9,16H,5-8H2,(H,20,21)
InChIKeyUDICSJJRIMSTCY-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.52
Rot. Bonds2

About [1-(4-chlorophthalazin-1-yl)piperidin-4-yl]carbamic acid

[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]carbamic acid (PubChem CID 87338891) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is [1-(4-chlorophthalazin-1-yl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]carbamic acid
PubChem CID87338891
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2nnc(Cl)c3ccccc23)CC1
InChIInChI=1S/C14H15ClN4O2/c15-12-10-3-1-2-4-11(10)13(18-17-12)19-7-5-9(6-8-19)16-14(20)21/h1-4,9,16H,5-8H2,(H,20,21)
InChIKeyUDICSJJRIMSTCY-UHFFFAOYSA-N
XLogP2.52
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophthalazin-1-yl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(4-chlorophthalazin-1-yl)piperidin-4-yl]carbamic acid (CID 87338891) is [1-(4-chlorophthalazin-1-yl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(4-chlorophthalazin-1-yl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(4-chlorophthalazin-1-yl)piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(c2nnc(Cl)c3ccccc23)CC1.
What is the InChIKey of [1-(4-chlorophthalazin-1-yl)piperidin-4-yl]carbamic acid?
The InChIKey is UDICSJJRIMSTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-12-10-3-1-2-4-11(10)13(18-17-12)19-7-5-9(6-8-19)16-14(20)21/h1-4,9,16H,5-8H2,(H,20,21).
What are the key properties of [1-(4-chlorophthalazin-1-yl)piperidin-4-yl]carbamic acid?
[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]carbamic acid has a molecular weight of 306.75 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophthalazin-1-yl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 87338891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).