[4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C22H33N3O — CID 24901057

IUPAC[4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CCC(N3Cc4ccccc4C3)CC2)CC1
InChIInChI=1S/C22H33N3O/c1-17(2)23-11-13-24(14-12-23)22(26)18-7-9-21(10-8-18)25-15-19-5-3-4-6-20(19)16-25/h3-6,17-18,21H,7-16H2,1-2H3
InChIKeyCSXGEYPVCSLQDF-UHFFFAOYSA-N
MW355.53 g/mol
LogP3.11
Rot. Bonds3

About [4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 24901057) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is [4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID24901057
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name[4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CCC(N3Cc4ccccc4C3)CC2)CC1
InChIInChI=1S/C22H33N3O/c1-17(2)23-11-13-24(14-12-23)22(26)18-7-9-21(10-8-18)25-15-19-5-3-4-6-20(19)16-25/h3-6,17-18,21H,7-16H2,1-2H3
InChIKeyCSXGEYPVCSLQDF-UHFFFAOYSA-N
XLogP3.11
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
CID 130296017
[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 176796856
[4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 24901128
[4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 24900546
ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone
CID 176568951
2-cyclopropyl-1,3-dihydroisoindole
CID 12953703
cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone
CID 141336827
[(3S)-1-phenylpyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;propan-2-one
CID 143211663
[4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 131944774
(1-propan-2-ylpiperidin-4-yl)-[4-(1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 177124210
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
[4-(5-methylhexyl)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanone
CID 171093271

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 24901057) is [4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)C2CCC(N3Cc4ccccc4C3)CC2)CC1.
What is the InChIKey of [4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is CSXGEYPVCSLQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-17(2)23-11-13-24(14-12-23)22(26)18-7-9-21(10-8-18)25-15-19-5-3-4-6-20(19)16-25/h3-6,17-18,21H,7-16H2,1-2H3.
What are the key properties of [4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 355.53 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24901057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).