4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione

C20H24N4O3 — CID 99944895

IUPAC4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione
SMILESO=C(Cc1cc(=O)[nH][nH]c1=O)N1CCN([C@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C20H24N4O3/c25-18-12-16(20(27)22-21-18)13-19(26)24-9-7-23(8-10-24)17-6-5-14-3-1-2-4-15(14)11-17/h1-4,12,17H,5-11,13H2,(H,21,25)(H,22,27)/t17-/m0/s1
InChIKeyCJLXXBZIQNXWGH-KRWDZBQOSA-N
MW368.44 g/mol
LogP0.31
Rot. Bonds3

About 4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione

4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione (PubChem CID 99944895) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione.

Molecular Properties

Compound Name4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione
PubChem CID99944895
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione
SMILESO=C(Cc1cc(=O)[nH][nH]c1=O)N1CCN([C@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C20H24N4O3/c25-18-12-16(20(27)22-21-18)13-19(26)24-9-7-23(8-10-24)17-6-5-14-3-1-2-4-15(14)11-17/h1-4,12,17H,5-11,13H2,(H,21,25)(H,22,27)/t17-/m0/s1
InChIKeyCJLXXBZIQNXWGH-KRWDZBQOSA-N
XLogP0.31
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione 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

1-[2-oxo-2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 56883257
3-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 95729823
1-[4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-2-phenylethanone
CID 160786789
1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one
CID 95726224
3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one
CID 95709460
2-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carbonyl]amino]acetic acid
CID 126434125
2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]acetic acid
CID 56701450
N-[3-oxo-3-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]methanesulfonamide
CID 95728525
2H-benzotriazol-5-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56910480
1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95727435
3-(2-amino-1,3-thiazol-4-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one
CID 56900936
(2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56913190

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione?
The IUPAC name of 4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione (CID 99944895) is 4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione.
What is the SMILES notation for 4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione?
The canonical SMILES for 4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione is O=C(Cc1cc(=O)[nH][nH]c1=O)N1CCN([C@H]2CCc3ccccc3C2)CC1.
What is the InChIKey of 4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione?
The InChIKey is CJLXXBZIQNXWGH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-18-12-16(20(27)22-21-18)13-19(26)24-9-7-23(8-10-24)17-6-5-14-3-1-2-4-15(14)11-17/h1-4,12,17H,5-11,13H2,(H,21,25)(H,22,27)/t17-/m0/s1.
What are the key properties of 4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione?
4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione has a molecular weight of 368.44 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione is sourced from PubChem (CID 99944895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).