[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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Related Compounds

ethyl 1-(4-chlorophthalazin-1-yl)piperidine-4-carboxylate
CID 172774199
1-chloro-4-[4-[2-[(hydroxysulfonimidoyl)amino]ethyl]piperidin-1-yl]phthalazine
CID 168756705
1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62140804
N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine
CID 54923632
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide
CID 42690921
[1-(3-amino-6-chloropyridazin-4-yl)piperidin-4-yl]carbamic acid
CID 166708160
1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine
CID 113418390
2-[(4-chlorophthalazin-1-yl)amino]-N-cyclopropylacetamide
CID 62141548
2-[1-(4-chlorophthalazin-1-yl)-3-(dimethylamino)azetidin-3-yl]ethylcarbamic acid
CID 87371385
1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine
CID 15124641
[1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 87504353
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-chlorophthalazine
CID 63154781

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).