4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile

C22H22N2O2 — CID 127281932

IUPAC4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccc(OC2CCN(C(=O)c3cccc4c3CCC4)CC2)cc1
InChIInChI=1S/C22H22N2O2/c23-15-16-7-9-18(10-8-16)26-19-11-13-24(14-12-19)22(25)21-6-2-4-17-3-1-5-20(17)21/h2,4,6-10,19H,1,3,5,11-14H2
InChIKeyXLHLNMNIUPICJX-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.73
Rot. Bonds3

About 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile

4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile (PubChem CID 127281932) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile
PubChem CID127281932
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccc(OC2CCN(C(=O)c3cccc4c3CCC4)CC2)cc1
InChIInChI=1S/C22H22N2O2/c23-15-16-7-9-18(10-8-16)26-19-11-13-24(14-12-19)22(25)21-6-2-4-17-3-1-5-20(17)21/h2,4,6-10,19H,1,3,5,11-14H2
InChIKeyXLHLNMNIUPICJX-UHFFFAOYSA-N
XLogP3.73
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile
CID 24732831
4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 24732829
4-[1-[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]oxybenzonitrile
CID 95907426
4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid
CID 71224929
(3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610702
4-(2,3-dihydro-1H-indene-4-carbonyl)-N-methylpiperazine-1-sulfonamide
CID 138997186
(2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 119945105
N-methyl-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidine-4-sulfonamide
CID 136545712
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
4-[[4-(4-cyanophenoxy)piperidin-1-yl]methyl]benzoic acid
CID 122028993
3-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
CID 136560207
6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile
CID 72855974

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile?
The IUPAC name of 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile (CID 127281932) is 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile?
The canonical SMILES for 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile is N#Cc1ccc(OC2CCN(C(=O)c3cccc4c3CCC4)CC2)cc1.
What is the InChIKey of 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile?
The InChIKey is XLHLNMNIUPICJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c23-15-16-7-9-18(10-8-16)26-19-11-13-24(14-12-19)22(25)21-6-2-4-17-3-1-5-20(17)21/h2,4,6-10,19H,1,3,5,11-14H2.
What are the key properties of 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile?
4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile has a molecular weight of 346.43 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 127281932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).