(3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone

C19H31NO — CID 112793031

IUPAC(3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H31NO/c1-14-6-4-5-7-20(14)16(21)19-10-15-8-17(2,12-19)11-18(3,9-15)13-19/h14-15H,4-13H2,1-3H3
InChIKeyJAANEZHGDILJOW-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.38
Rot. Bonds1

About (3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone

(3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 112793031) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is (3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID112793031
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name(3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H31NO/c1-14-6-4-5-7-20(14)16(21)19-10-15-8-17(2,12-19)11-18(3,9-15)13-19/h14-15H,4-13H2,1-3H3
InChIKeyJAANEZHGDILJOW-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone (CID 112793031) is (3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of (3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is JAANEZHGDILJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14-6-4-5-7-20(14)16(21)19-10-15-8-17(2,12-19)11-18(3,9-15)13-19/h14-15H,4-13H2,1-3H3.
What are the key properties of (3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone?
(3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 289.46 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 112793031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).