1-[3-(dimethylamino)propyl]-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one

C24H32N6O2 — CID 108809946

IUPAC1-[3-(dimethylamino)propyl]-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCN(C)CCCN1CC(C(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)CC1=O
InChIInChI=1S/C24H32N6O2/c1-27(2)11-6-12-30-18-20(17-23(30)31)24(32)29-15-13-28(14-16-29)22-10-9-21(25-26-22)19-7-4-3-5-8-19/h3-5,7-10,20H,6,11-18H2,1-2H3
InChIKeyHPNJJDPOEBDIQD-UHFFFAOYSA-N
MW436.56 g/mol
LogP1.59
Rot. Bonds7

About 1-[3-(dimethylamino)propyl]-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one

1-[3-(dimethylamino)propyl]-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 108809946) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID108809946
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name1-[3-(dimethylamino)propyl]-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCN(C)CCCN1CC(C(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)CC1=O
InChIInChI=1S/C24H32N6O2/c1-27(2)11-6-12-30-18-20(17-23(30)31)24(32)29-15-13-28(14-16-29)22-10-9-21(25-26-22)19-7-4-3-5-8-19/h3-5,7-10,20H,6,11-18H2,1-2H3
InChIKeyHPNJJDPOEBDIQD-UHFFFAOYSA-N
XLogP1.59
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108729975
1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 108800270
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293
1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 136542936
1-[2-(dimethylamino)ethyl]-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113182849
4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one
CID 113185297
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866607
1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51143749
(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866604
(4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 121072082
(4S)-1-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8551047
(4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
CID 53025387

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(dimethylamino)propyl]-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 108809946) is 1-[3-(dimethylamino)propyl]-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one is CN(C)CCCN1CC(C(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)CC1=O.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is HPNJJDPOEBDIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-27(2)11-6-12-30-18-20(17-23(30)31)24(32)29-15-13-28(14-16-29)22-10-9-21(25-26-22)19-7-4-3-5-8-19/h3-5,7-10,20H,6,11-18H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-[3-(dimethylamino)propyl]-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 436.56 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 108809946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).