[4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C23H35N3O — CID 24901128

IUPAC[4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CCC(NC3CCc4ccccc43)CC2)CC1
InChIInChI=1S/C23H35N3O/c1-17(2)25-13-15-26(16-14-25)23(27)19-7-10-20(11-8-19)24-22-12-9-18-5-3-4-6-21(18)22/h3-6,17,19-20,22,24H,7-16H2,1-2H3
InChIKeyIJACCCWIMAXCAZ-UHFFFAOYSA-N
MW369.55 g/mol
LogP3.37
Rot. Bonds4

About [4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 24901128) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID24901128
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name[4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CCC(NC3CCc4ccccc43)CC2)CC1
InChIInChI=1S/C23H35N3O/c1-17(2)25-13-15-26(16-14-25)23(27)19-7-10-20(11-8-19)24-22-12-9-18-5-3-4-6-21(18)22/h3-6,17,19-20,22,24H,7-16H2,1-2H3
InChIKeyIJACCCWIMAXCAZ-UHFFFAOYSA-N
XLogP3.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 24901057
N-(4-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 63421668
[4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 24900546
2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46024332
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42842525
2-(2,3-dihydro-1H-inden-1-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43411283
4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid
CID 65054525
(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
CID 114986954
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698
N-(4-propylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 43081045
cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
CID 130296017
2-(2,3-dihydro-1H-inden-1-ylamino)-1-piperidin-1-ylethanone
CID 43411240

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 24901128) is [4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)C2CCC(NC3CCc4ccccc43)CC2)CC1.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is IJACCCWIMAXCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O/c1-17(2)25-13-15-26(16-14-25)23(27)19-7-10-20(11-8-19)24-22-12-9-18-5-3-4-6-21(18)22/h3-6,17,19-20,22,24H,7-16H2,1-2H3.
What are the key properties of [4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 369.55 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24901128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).