1-adamantyl-(4-phenylpiperidin-1-yl)methanone

C22H29NO — CID 2921328

IUPAC1-adamantyl-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(N1CCC(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29NO/c24-21(22-13-16-10-17(14-22)12-18(11-16)15-22)23-8-6-20(7-9-23)19-4-2-1-3-5-19/h1-5,16-18,20H,6-15H2
InChIKeyZKRNMJOSVPSYAG-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.61
Rot. Bonds2

About 1-adamantyl-(4-phenylpiperidin-1-yl)methanone

1-adamantyl-(4-phenylpiperidin-1-yl)methanone (PubChem CID 2921328) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-adamantyl-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(4-phenylpiperidin-1-yl)methanone
PubChem CID2921328
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name1-adamantyl-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(N1CCC(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29NO/c24-21(22-13-16-10-17(14-22)12-18(11-16)15-22)23-8-6-20(7-9-23)19-4-2-1-3-5-19/h1-5,16-18,20H,6-15H2
InChIKeyZKRNMJOSVPSYAG-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 25281285
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenylacetamide
CID 108551322
phenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate
CID 51294878
1-adamantyl(1,3-dihydroisoindol-2-yl)methanone
CID 71559523
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157
(1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone
CID 119770810
(4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone
CID 52510430
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
CID 108555861
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 51292586
1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride
CID 110204181
1-adamantyl-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]methanone
CID 73169060
(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 119278406

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of 1-adamantyl-(4-phenylpiperidin-1-yl)methanone (CID 2921328) is 1-adamantyl-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for 1-adamantyl-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(4-phenylpiperidin-1-yl)methanone is O=C(N1CCC(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is ZKRNMJOSVPSYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c24-21(22-13-16-10-17(14-22)12-18(11-16)15-22)23-8-6-20(7-9-23)19-4-2-1-3-5-19/h1-5,16-18,20H,6-15H2.
What are the key properties of 1-adamantyl-(4-phenylpiperidin-1-yl)methanone?
1-adamantyl-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 323.48 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 2921328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).