2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone

C20H22N2O — CID 112532321

IUPAC2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1Cc2ccccc2C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H22N2O/c23-20(18-14-16-6-4-5-7-17(16)15-18)22-12-10-21(11-13-22)19-8-2-1-3-9-19/h1-9,18H,10-15H2
InChIKeyKDBKHFWYDOTPPJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.75
Rot. Bonds2

About 2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone

2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone (PubChem CID 112532321) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
PubChem CID112532321
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1Cc2ccccc2C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H22N2O/c23-20(18-14-16-6-4-5-7-17(16)15-18)22-12-10-21(11-13-22)19-8-2-1-3-9-19/h1-9,18H,10-15H2
InChIKeyKDBKHFWYDOTPPJ-UHFFFAOYSA-N
XLogP2.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone
CID 141336827
2,3-dihydro-1H-inden-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 112531224
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
(2-hydroxycyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 110013572
1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 2986614
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95375095
1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 112826915
3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 22578090
oxan-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853203

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone (CID 112532321) is 2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone is O=C(C1Cc2ccccc2C1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is KDBKHFWYDOTPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c23-20(18-14-16-6-4-5-7-17(16)15-18)22-12-10-21(11-13-22)19-8-2-1-3-9-19/h1-9,18H,10-15H2.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone?
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 306.41 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 112532321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).