4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one

C18H23N3O2 — CID 2108113

IUPAC4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one
SMILESCCCn1nc(C(=O)N2CCC[C@@H](C)C2)c2ccccc2c1=O
InChIInChI=1S/C18H23N3O2/c1-3-10-21-17(22)15-9-5-4-8-14(15)16(19-21)18(23)20-11-6-7-13(2)12-20/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3/t13-/m1/s1
InChIKeyUZSLQKAGSSKOGC-CYBMUJFWSA-N
MW313.40 g/mol
LogP2.68
Rot. Bonds3

About 4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one

4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one (PubChem CID 2108113) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one.

Molecular Properties

Compound Name4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one
PubChem CID2108113
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one
SMILESCCCn1nc(C(=O)N2CCC[C@@H](C)C2)c2ccccc2c1=O
InChIInChI=1S/C18H23N3O2/c1-3-10-21-17(22)15-9-5-4-8-14(15)16(19-21)18(23)20-11-6-7-13(2)12-20/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3/t13-/m1/s1
InChIKeyUZSLQKAGSSKOGC-CYBMUJFWSA-N
XLogP2.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 95582769
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one
CID 2594981
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-pentylphthalazin-1-one
CID 119592753
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-propylphthalazin-1-one
CID 26008732
1-ethyl-3-(3-methylpiperidine-1-carbonyl)cinnolin-4-one
CID 53014951
4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
CID 26925219
4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-butylphthalazin-1-one
CID 47017728
4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one
CID 17420770
2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one
CID 9452362
4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one
CID 119492763
2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one
CID 119491082
4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 24567052

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one?
The IUPAC name of 4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one (CID 2108113) is 4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one.
What is the SMILES notation for 4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one?
The canonical SMILES for 4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one is CCCn1nc(C(=O)N2CCC[C@@H](C)C2)c2ccccc2c1=O.
What is the InChIKey of 4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one?
The InChIKey is UZSLQKAGSSKOGC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-10-21-17(22)15-9-5-4-8-14(15)16(19-21)18(23)20-11-6-7-13(2)12-20/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one?
4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one has a molecular weight of 313.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one is sourced from PubChem (CID 2108113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).