3,5,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylhexanamide

C18H36N2O — CID 79701321

IUPAC3,5,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylhexanamide
SMILESCC(CC(=O)N(CC1CCNCC1)C(C)C)CC(C)(C)C
InChIInChI=1S/C18H36N2O/c1-14(2)20(13-16-7-9-19-10-8-16)17(21)11-15(3)12-18(4,5)6/h14-16,19H,7-13H2,1-6H3
InChIKeyDZQIXMAIEYAULH-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.69
Rot. Bonds6

About 3,5,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylhexanamide

3,5,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylhexanamide (PubChem CID 79701321) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name3,5,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylhexanamide
PubChem CID79701321
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name3,5,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylhexanamide
SMILESCC(CC(=O)N(CC1CCNCC1)C(C)C)CC(C)(C)C
InChIInChI=1S/C18H36N2O/c1-14(2)20(13-16-7-9-19-10-8-16)17(21)11-15(3)12-18(4,5)6/h14-16,19H,7-13H2,1-6H3
InChIKeyDZQIXMAIEYAULH-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylhexanamide?
The IUPAC name of 3,5,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylhexanamide (CID 79701321) is 3,5,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylhexanamide.
What is the SMILES notation for 3,5,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylhexanamide?
The canonical SMILES for 3,5,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylhexanamide is CC(CC(=O)N(CC1CCNCC1)C(C)C)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylhexanamide?
The InChIKey is DZQIXMAIEYAULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-14(2)20(13-16-7-9-19-10-8-16)17(21)11-15(3)12-18(4,5)6/h14-16,19H,7-13H2,1-6H3.
What are the key properties of 3,5,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylhexanamide?
3,5,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylhexanamide has a molecular weight of 296.50 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylhexanamide is sourced from PubChem (CID 79701321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).