[3-(piperidine-1-carbonyl)-1-adamantyl]-piperidin-1-ylmethanone

C22H34N2O2 — CID 660994

IUPAC[3-(piperidine-1-carbonyl)-1-adamantyl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C12CC3CC(C1)CC(C(=O)N1CCCCC1)(C3)C2
InChIInChI=1S/C22H34N2O2/c25-19(23-7-3-1-4-8-23)21-12-17-11-18(13-21)15-22(14-17,16-21)20(26)24-9-5-2-6-10-24/h17-18H,1-16H2
InChIKeyIZXYQYORASNARR-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.60
Rot. Bonds2

About [3-(piperidine-1-carbonyl)-1-adamantyl]-piperidin-1-ylmethanone

[3-(piperidine-1-carbonyl)-1-adamantyl]-piperidin-1-ylmethanone (PubChem CID 660994) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is [3-(piperidine-1-carbonyl)-1-adamantyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(piperidine-1-carbonyl)-1-adamantyl]-piperidin-1-ylmethanone
PubChem CID660994
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name[3-(piperidine-1-carbonyl)-1-adamantyl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C12CC3CC(C1)CC(C(=O)N1CCCCC1)(C3)C2
InChIInChI=1S/C22H34N2O2/c25-19(23-7-3-1-4-8-23)21-12-17-11-18(13-21)15-22(14-17,16-21)20(26)24-9-5-2-6-10-24/h17-18H,1-16H2
InChIKeyIZXYQYORASNARR-UHFFFAOYSA-N
XLogP3.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Adamantan-1-yl-piperidin-1-yl-methanone
CID 584509
Adamantan-1-yl-(4-ethyl-piperazin-1-yl)-methanone
CID 4348598
Adamantan-1-yl-(4-methyl-piperazin-1-yl)-methanone
CID 2827468
(3,5-Dimethyl-adamantan-1-yl)-(4-methyl-piperazin-1-yl)-methanone
CID 2842992
2-(Adamantan-1-yl)-1-(4-ethylpiperazin-1-yl)ethan-1-one
CID 25236186
4-{[3-(Morpholin-4-ylcarbonyl)-1-adamantyl]carbonyl}morpholine
CID 2728838
1-(1-Adamantylacetyl)-4-methylpiperazine
CID 2876347
1-(Adamantane-1-carbonyl)-piperidine-4-carboxylic acid amide
CID 649760
1,4-Bis(1-adamantylcarbonyl)piperazine
CID 356608
2-(Adamantan-1-yl)-1-(piperidin-1-yl)ethan-1-one
CID 2829890
Cambridge id 6043609
CID 2881961
1-(1-Adamantylcarbonyl)-2-methylpiperidine
CID 2896597

Frequently Asked Questions

What is the IUPAC name of [3-(piperidine-1-carbonyl)-1-adamantyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(piperidine-1-carbonyl)-1-adamantyl]-piperidin-1-ylmethanone (CID 660994) is [3-(piperidine-1-carbonyl)-1-adamantyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(piperidine-1-carbonyl)-1-adamantyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(piperidine-1-carbonyl)-1-adamantyl]-piperidin-1-ylmethanone is O=C(N1CCCCC1)C12CC3CC(C1)CC(C(=O)N1CCCCC1)(C3)C2.
What is the InChIKey of [3-(piperidine-1-carbonyl)-1-adamantyl]-piperidin-1-ylmethanone?
The InChIKey is IZXYQYORASNARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c25-19(23-7-3-1-4-8-23)21-12-17-11-18(13-21)15-22(14-17,16-21)20(26)24-9-5-2-6-10-24/h17-18H,1-16H2.
What are the key properties of [3-(piperidine-1-carbonyl)-1-adamantyl]-piperidin-1-ylmethanone?
[3-(piperidine-1-carbonyl)-1-adamantyl]-piperidin-1-ylmethanone has a molecular weight of 358.53 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(piperidine-1-carbonyl)-1-adamantyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 660994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).