4-[1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-ethylphthalazin-1-one

C22H32N4O2 — CID 46978352

IUPAC4-[1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-ethylphthalazin-1-one
SMILESCCn1nc(C(C)C(=O)N2CCC(CCN(C)C)CC2)c2ccccc2c1=O
InChIInChI=1S/C22H32N4O2/c1-5-26-22(28)19-9-7-6-8-18(19)20(23-26)16(2)21(27)25-14-11-17(12-15-25)10-13-24(3)4/h6-9,16-17H,5,10-15H2,1-4H3
InChIKeyANZCAWGZIQQVOS-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.71
Rot. Bonds6

About 4-[1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-ethylphthalazin-1-one

4-[1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-ethylphthalazin-1-one (PubChem CID 46978352) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-[1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-ethylphthalazin-1-one.

Molecular Properties

Compound Name4-[1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-ethylphthalazin-1-one
PubChem CID46978352
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name4-[1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-ethylphthalazin-1-one
SMILESCCn1nc(C(C)C(=O)N2CCC(CCN(C)C)CC2)c2ccccc2c1=O
InChIInChI=1S/C22H32N4O2/c1-5-26-22(28)19-9-7-6-8-18(19)20(23-26)16(2)21(27)25-14-11-17(12-15-25)10-13-24(3)4/h6-9,16-17H,5,10-15H2,1-4H3
InChIKeyANZCAWGZIQQVOS-UHFFFAOYSA-N
XLogP2.71
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-ethylphthalazin-1-one with MolForge

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Related Compounds

(2S)-2-(3-ethyl-4-oxophthalazin-1-yl)propanoate
CID 6944485
2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one
CID 56810543
4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
CID 26925219
4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 24567052
2-[2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 86824471
N-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide
CID 42379086
4-[(3S)-3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one
CID 136821115
N,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine
CID 60542956
3-ethyl-4-oxophthalazine-1-carboxylate
CID 2388830
4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one
CID 49071749
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-phenyl-2-sulfanylpropan-1-one
CID 107026032
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119276186

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-ethylphthalazin-1-one?
The IUPAC name of 4-[1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-ethylphthalazin-1-one (CID 46978352) is 4-[1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-ethylphthalazin-1-one.
What is the SMILES notation for 4-[1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-ethylphthalazin-1-one?
The canonical SMILES for 4-[1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-ethylphthalazin-1-one is CCn1nc(C(C)C(=O)N2CCC(CCN(C)C)CC2)c2ccccc2c1=O.
What is the InChIKey of 4-[1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-ethylphthalazin-1-one?
The InChIKey is ANZCAWGZIQQVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-5-26-22(28)19-9-7-6-8-18(19)20(23-26)16(2)21(27)25-14-11-17(12-15-25)10-13-24(3)4/h6-9,16-17H,5,10-15H2,1-4H3.
What are the key properties of 4-[1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-ethylphthalazin-1-one?
4-[1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-ethylphthalazin-1-one has a molecular weight of 384.52 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-ethylphthalazin-1-one is sourced from PubChem (CID 46978352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).