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

C20H23N3O2 — CID 91792821

IUPAC[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H23N3O2/c1-25-19-18(7-4-8-21-19)20(24)23-11-9-22(10-12-23)17-13-15-5-2-3-6-16(15)14-17/h2-8,17H,9-14H2,1H3
InChIKeyTVGFIUHMIXFKOS-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.02
Rot. Bonds3

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

[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 91792821) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID91792821
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H23N3O2/c1-25-19-18(7-4-8-21-19)20(24)23-11-9-22(10-12-23)17-13-15-5-2-3-6-16(15)14-17/h2-8,17H,9-14H2,1H3
InChIKeyTVGFIUHMIXFKOS-UHFFFAOYSA-N
XLogP2.02
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 66201560
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
(4-cyclopropylpiperazin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone
CID 86853356
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 134062153
4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide
CID 62876001
[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 55559458
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 42594380
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 62317950
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 56811767
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 63337490
3-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 75473610

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone (CID 91792821) is [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)N1CCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is TVGFIUHMIXFKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-25-19-18(7-4-8-21-19)20(24)23-11-9-22(10-12-23)17-13-15-5-2-3-6-16(15)14-17/h2-8,17H,9-14H2,1H3.
What are the key properties of [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 337.42 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 91792821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).