1-[4-[4-(4-tert-butylpiperidin-1-yl)-2-methylbutan-2-yl]piperidin-1-yl]ethanone

C21H40N2O — CID 139501444

IUPAC1-[4-[4-(4-tert-butylpiperidin-1-yl)-2-methylbutan-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(C)(C)CCN2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C21H40N2O/c1-17(24)23-14-9-19(10-15-23)21(5,6)11-16-22-12-7-18(8-13-22)20(2,3)4/h18-19H,7-16H2,1-6H3
InChIKeyRPGKCIWODTYISX-UHFFFAOYSA-N
MW336.56 g/mol
LogP4.42
Rot. Bonds4

About 1-[4-[4-(4-tert-butylpiperidin-1-yl)-2-methylbutan-2-yl]piperidin-1-yl]ethanone

1-[4-[4-(4-tert-butylpiperidin-1-yl)-2-methylbutan-2-yl]piperidin-1-yl]ethanone (PubChem CID 139501444) has the molecular formula C21H40N2O and a molecular weight of 336.56 g/mol. Its IUPAC name is 1-[4-[4-(4-tert-butylpiperidin-1-yl)-2-methylbutan-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-tert-butylpiperidin-1-yl)-2-methylbutan-2-yl]piperidin-1-yl]ethanone
PubChem CID139501444
Molecular FormulaC21H40N2O
Molecular Weight336.56 g/mol
Exact Mass336.31
IUPAC Name1-[4-[4-(4-tert-butylpiperidin-1-yl)-2-methylbutan-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(C)(C)CCN2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C21H40N2O/c1-17(24)23-14-9-19(10-15-23)21(5,6)11-16-22-12-7-18(8-13-22)20(2,3)4/h18-19H,7-16H2,1-6H3
InChIKeyRPGKCIWODTYISX-UHFFFAOYSA-N
XLogP4.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.56
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-tert-butylpiperidin-1-yl)-2-methylbutan-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(4-tert-butylpiperidin-1-yl)-2-methylbutan-2-yl]piperidin-1-yl]ethanone (CID 139501444) is 1-[4-[4-(4-tert-butylpiperidin-1-yl)-2-methylbutan-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-tert-butylpiperidin-1-yl)-2-methylbutan-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(4-tert-butylpiperidin-1-yl)-2-methylbutan-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(C)(C)CCN2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-[4-[4-(4-tert-butylpiperidin-1-yl)-2-methylbutan-2-yl]piperidin-1-yl]ethanone?
The InChIKey is RPGKCIWODTYISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O/c1-17(24)23-14-9-19(10-15-23)21(5,6)11-16-22-12-7-18(8-13-22)20(2,3)4/h18-19H,7-16H2,1-6H3.
What are the key properties of 1-[4-[4-(4-tert-butylpiperidin-1-yl)-2-methylbutan-2-yl]piperidin-1-yl]ethanone?
1-[4-[4-(4-tert-butylpiperidin-1-yl)-2-methylbutan-2-yl]piperidin-1-yl]ethanone has a molecular weight of 336.56 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-tert-butylpiperidin-1-yl)-2-methylbutan-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 139501444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).