4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine

C24H28N4O — CID 166151208

IUPAC4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine
SMILESCOc1cc(C2CC2)ccc1-c1nnc(N[C@@H]2CCCN(C)C2)c2ccccc12
InChIInChI=1S/C24H28N4O/c1-28-13-5-6-18(15-28)25-24-20-8-4-3-7-19(20)23(26-27-24)21-12-11-17(16-9-10-16)14-22(21)29-2/h3-4,7-8,11-12,14,16,18H,5-6,9-10,13,15H2,1-2H3,(H,25,27)/t18-/m1/s1
InChIKeyZCBMGDMBJCSOQM-GOSISDBHSA-N
MW388.52 g/mol
LogP4.69
Rot. Bonds5

About 4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine

4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine (PubChem CID 166151208) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine.

Molecular Properties

Compound Name4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine
PubChem CID166151208
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine
SMILESCOc1cc(C2CC2)ccc1-c1nnc(N[C@@H]2CCCN(C)C2)c2ccccc12
InChIInChI=1S/C24H28N4O/c1-28-13-5-6-18(15-28)25-24-20-8-4-3-7-19(20)23(26-27-24)21-12-11-17(16-9-10-16)14-22(21)29-2/h3-4,7-8,11-12,14,16,18H,5-6,9-10,13,15H2,1-2H3,(H,25,27)/t18-/m1/s1
InChIKeyZCBMGDMBJCSOQM-GOSISDBHSA-N
XLogP4.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine?
The IUPAC name of 4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine (CID 166151208) is 4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine.
What is the SMILES notation for 4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine?
The canonical SMILES for 4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine is COc1cc(C2CC2)ccc1-c1nnc(N[C@@H]2CCCN(C)C2)c2ccccc12.
What is the InChIKey of 4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine?
The InChIKey is ZCBMGDMBJCSOQM-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28N4O/c1-28-13-5-6-18(15-28)25-24-20-8-4-3-7-19(20)23(26-27-24)21-12-11-17(16-9-10-16)14-22(21)29-2/h3-4,7-8,11-12,14,16,18H,5-6,9-10,13,15H2,1-2H3,(H,25,27)/t18-/m1/s1.
What are the key properties of 4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine?
4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine has a molecular weight of 388.52 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine is sourced from PubChem (CID 166151208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).