3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one

C20H21N3O2 — CID 110677769

IUPAC3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CC(C(=O)N2CCN(c3ccccn3)CC2)Cc2ccccc21
InChIInChI=1S/C20H21N3O2/c24-18-14-16(13-15-5-1-2-6-17(15)18)20(25)23-11-9-22(10-12-23)19-7-3-4-8-21-19/h1-8,16H,9-14H2
InChIKeyMPYKJQHZXSPFFK-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.18
Rot. Bonds2

About 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one

3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 110677769) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID110677769
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CC(C(=O)N2CCN(c3ccccn3)CC2)Cc2ccccc21
InChIInChI=1S/C20H21N3O2/c24-18-14-16(13-15-5-1-2-6-17(15)18)20(25)23-11-9-22(10-12-23)19-7-3-4-8-21-19/h1-8,16H,9-14H2
InChIKeyMPYKJQHZXSPFFK-UHFFFAOYSA-N
XLogP2.18
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
(4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 167400923
(6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one
CID 100740472
(1,1-dioxothiolan-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56809257
(4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9318939
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 120631278
1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51143749
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
(4-pyridin-2-ylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
CID 3239277
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321
[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109133323
2-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile
CID 113191766

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one (CID 110677769) is 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1CC(C(=O)N2CCN(c3ccccn3)CC2)Cc2ccccc21.
What is the InChIKey of 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is MPYKJQHZXSPFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-18-14-16(13-15-5-1-2-6-17(15)18)20(25)23-11-9-22(10-12-23)19-7-3-4-8-21-19/h1-8,16H,9-14H2.
What are the key properties of 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one?
3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 335.41 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 110677769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).