[(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone

C20H23N3O — CID 97189343

IUPAC[(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1cccnc1N1CCN(C(=O)[C@H]2CCc3ccccc32)CC1
InChIInChI=1S/C20H23N3O/c1-15-5-4-10-21-19(15)22-11-13-23(14-12-22)20(24)18-9-8-16-6-2-3-7-17(16)18/h2-7,10,18H,8-9,11-14H2,1H3/t18-/m0/s1
InChIKeyAFOHBQQBVBLENP-SFHVURJKSA-N
MW321.42 g/mol
LogP2.77
Rot. Bonds2

About [(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone

[(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 97189343) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is [(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID97189343
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name[(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1cccnc1N1CCN(C(=O)[C@H]2CCc3ccccc32)CC1
InChIInChI=1S/C20H23N3O/c1-15-5-4-10-21-19(15)22-11-13-23(14-12-22)20(24)18-9-8-16-6-2-3-7-17(16)18/h2-7,10,18H,8-9,11-14H2,1H3/t18-/m0/s1
InChIKeyAFOHBQQBVBLENP-SFHVURJKSA-N
XLogP2.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

3-[4-(2,3-dihydro-1H-indene-1-carbonyl)-1,4-diazepan-1-yl]pyrazine-2-carbonitrile
CID 138387660
(4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034354
(5R)-1-cyclopropyl-5-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-2-one
CID 42189910
[(1R)-2,3-dihydro-1H-inden-1-yl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95607316
(4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 80706477
(1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 70781321
[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 56537224
1-(2,3-dihydro-1H-indene-1-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 77090586
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
(4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134062077
1-[4-(2,3-dihydro-1H-indene-1-carbonyl)-1,4-diazepan-1-yl]-3-methylsulfonylpropan-1-one
CID 135095195

Frequently Asked Questions

What is the IUPAC name of [(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone (CID 97189343) is [(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone is Cc1cccnc1N1CCN(C(=O)[C@H]2CCc3ccccc32)CC1.
What is the InChIKey of [(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is AFOHBQQBVBLENP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15-5-4-10-21-19(15)22-11-13-23(14-12-22)20(24)18-9-8-16-6-2-3-7-17(16)18/h2-7,10,18H,8-9,11-14H2,1H3/t18-/m0/s1.
What are the key properties of [(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
[(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 321.42 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 97189343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).