[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C22H41N3O — CID 176796856

IUPAC[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)C1CCC(N2CCC(C(=O)N3CCN(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C22H41N3O/c1-17(2)19-5-7-21(8-6-19)24-11-9-20(10-12-24)22(26)25-15-13-23(14-16-25)18(3)4/h17-21H,5-16H2,1-4H3
InChIKeyOSBIBQLNSDSNOU-UHFFFAOYSA-N
MW363.59 g/mol
LogP3.47
Rot. Bonds4

About [1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 176796856) has the molecular formula C22H41N3O and a molecular weight of 363.59 g/mol. Its IUPAC name is [1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID176796856
Molecular FormulaC22H41N3O
Molecular Weight363.59 g/mol
Exact Mass363.32
IUPAC Name[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)C1CCC(N2CCC(C(=O)N3CCN(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C22H41N3O/c1-17(2)19-5-7-21(8-6-19)24-11-9-20(10-12-24)22(26)25-15-13-23(14-16-25)18(3)4/h17-21H,5-16H2,1-4H3
InChIKeyOSBIBQLNSDSNOU-UHFFFAOYSA-N
XLogP3.47
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.59
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
CID 130296017
[4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 131944774
ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone
CID 176568951
(1-propan-2-ylpiperidin-4-yl)-[4-(1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 177124210
ethane;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 171508742
[4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 24901057
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 168752483
(1-propan-2-ylpiperidin-4-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 168752402
[(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone
CID 176796888
(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 160908766
[4-(5-methylhexyl)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanone
CID 171093271
1-[4-[4-(1-cyclopropylethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110741284

Frequently Asked Questions

What is the IUPAC name of [1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 176796856) is [1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)C1CCC(N2CCC(C(=O)N3CCN(C(C)C)CC3)CC2)CC1.
What is the InChIKey of [1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is OSBIBQLNSDSNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N3O/c1-17(2)19-5-7-21(8-6-19)24-11-9-20(10-12-24)22(26)25-15-13-23(14-16-25)18(3)4/h17-21H,5-16H2,1-4H3.
What are the key properties of [1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 363.59 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 176796856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).