1-(adamantane-1-carbonyl)piperidin-2-one

C16H23NO2 — CID 153488108

IUPAC1-(adamantane-1-carbonyl)piperidin-2-one
SMILESO=C1CCCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23NO2/c18-14-3-1-2-4-17(14)15(19)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,1-10H2
InChIKeyHZHGWHZNGKOPQQ-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.74
Rot. Bonds1

About 1-(adamantane-1-carbonyl)piperidin-2-one

1-(adamantane-1-carbonyl)piperidin-2-one (PubChem CID 153488108) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)piperidin-2-one
PubChem CID153488108
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-(adamantane-1-carbonyl)piperidin-2-one
SMILESO=C1CCCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23NO2/c18-14-3-1-2-4-17(14)15(19)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,1-10H2
InChIKeyHZHGWHZNGKOPQQ-UHFFFAOYSA-N
XLogP2.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Adamantan-1-yl-piperidin-1-yl-methanone
CID 584509
Adamantan-1-yl(pyrrolidin-1-yl)methanone
CID 2741656
1-(Adamantane-1-carbonyl)-4-ethylpiperazine
CID 4348598
1-(Adamantane-1-carbonyl)-4-methylpiperazine
CID 2827468
Adamantan-2-yl-piperidin-1-yl-methanone
CID 9450114
(3,5-Dimethyl-adamantan-1-yl)-(4-methyl-piperazin-1-yl)-methanone
CID 2842992
(3,5-Dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone
CID 6464652
(1s,3s,5r,7r)-Adamantane-1,3-diylbis(piperidin-1-ylmethanone)
CID 660994
2-(Adamantane-1-carbonyl)-decahydroisoquinoline
CID 42921995
N,N-Diisopropyl-1-adamantanecarboxamide
CID 369222
1-Adamantanecarboxylic acid, morpholide
CID 532249
2-(1-Adamantyl)-1-morpholin-4-ylethanone
CID 2741140

Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)piperidin-2-one?
The IUPAC name of 1-(adamantane-1-carbonyl)piperidin-2-one (CID 153488108) is 1-(adamantane-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-(adamantane-1-carbonyl)piperidin-2-one?
The canonical SMILES for 1-(adamantane-1-carbonyl)piperidin-2-one is O=C1CCCCN1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(adamantane-1-carbonyl)piperidin-2-one?
The InChIKey is HZHGWHZNGKOPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-14-3-1-2-4-17(14)15(19)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,1-10H2.
What are the key properties of 1-(adamantane-1-carbonyl)piperidin-2-one?
1-(adamantane-1-carbonyl)piperidin-2-one has a molecular weight of 261.36 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 153488108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).