1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone

C19H31NO2 — CID 110725415

IUPAC1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone
SMILESCC(C)OC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H31NO2/c1-13(2)22-17-3-5-20(6-4-17)18(21)19-10-14-7-15(11-19)9-16(8-14)12-19/h13-17H,3-12H2,1-2H3
InChIKeyCGAWLCPDBJWPCS-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.62
Rot. Bonds3

About 1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone

1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone (PubChem CID 110725415) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone
PubChem CID110725415
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone
SMILESCC(C)OC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H31NO2/c1-13(2)22-17-3-5-20(6-4-17)18(21)19-10-14-7-15(11-19)9-16(8-14)12-19/h13-17H,3-12H2,1-2H3
InChIKeyCGAWLCPDBJWPCS-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of 1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone (CID 110725415) is 1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for 1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone is CC(C)OC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone?
The InChIKey is CGAWLCPDBJWPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-13(2)22-17-3-5-20(6-4-17)18(21)19-10-14-7-15(11-19)9-16(8-14)12-19/h13-17H,3-12H2,1-2H3.
What are the key properties of 1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone?
1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone has a molecular weight of 305.46 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 110725415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).