1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone

C23H25N3O — CID 95727435

IUPAC1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN([C@@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C23H25N3O/c27-23(22-16-19-7-3-4-8-21(19)24-22)26-13-11-25(12-14-26)20-10-9-17-5-1-2-6-18(17)15-20/h1-8,16,20,24H,9-15H2/t20-/m1/s1
InChIKeyWKOHUKSMVCMRGB-HXUWFJFHSA-N
MW359.47 g/mol
LogP3.48
Rot. Bonds2

About 1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone

1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone (PubChem CID 95727435) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
PubChem CID95727435
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN([C@@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C23H25N3O/c27-23(22-16-19-7-3-4-8-21(19)24-22)26-13-11-25(12-14-26)20-10-9-17-5-1-2-6-18(17)15-20/h1-8,16,20,24H,9-15H2/t20-/m1/s1
InChIKeyWKOHUKSMVCMRGB-HXUWFJFHSA-N
XLogP3.48
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 126428921
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95706821
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-2-yl)methanone
CID 72865657
[(4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)azepan-1-yl]-(1H-indol-2-yl)methanone
CID 110128506
[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)methanone
CID 166268120
3-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 95729823
2H-benzotriazol-5-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56910480
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone (CID 95727435) is 1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCN([C@@H]2CCc3ccccc3C2)CC1.
What is the InChIKey of 1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
The InChIKey is WKOHUKSMVCMRGB-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25N3O/c27-23(22-16-19-7-3-4-8-21(19)24-22)26-13-11-25(12-14-26)20-10-9-17-5-1-2-6-18(17)15-20/h1-8,16,20,24H,9-15H2/t20-/m1/s1.
What are the key properties of 1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone has a molecular weight of 359.47 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 95727435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).