(4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone

C23H31NO — CID 52510430

IUPAC(4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone
SMILESCC1CCN(C(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)CC1
InChIInChI=1S/C23H31NO/c1-17-7-9-24(10-8-17)21(25)23-14-18-11-19(15-23)13-22(12-18,16-23)20-5-3-2-4-6-20/h2-6,17-19H,7-16H2,1H3/t18-,19+,22?,23?
InChIKeyFEWQATWZNHLVOP-MGAZVUHYSA-N
MW337.51 g/mol
LogP4.78
Rot. Bonds2

About (4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone

(4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone (PubChem CID 52510430) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone
PubChem CID52510430
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name(4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone
SMILESCC1CCN(C(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)CC1
InChIInChI=1S/C23H31NO/c1-17-7-9-24(10-8-17)21(25)23-14-18-11-19(15-23)13-22(12-18,16-23)20-5-3-2-4-6-20/h2-6,17-19H,7-16H2,1H3/t18-,19+,22?,23?
InChIKeyFEWQATWZNHLVOP-MGAZVUHYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-[(5S,7R)-3-phenyl-1-adamantyl]methanone
CID 52510423
azepan-1-yl-[1-[(5S,7S)-3-phenyladamantane-1-carbonyl]piperidin-4-yl]methanone
CID 98537815
1,4-diazepan-1-yl-(3-phenyl-1-adamantyl)methanone
CID 130269344
1-[(5R,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]piperidine-4-carboxylic acid
CID 98043389
1-cyclopropyl-3-[4-(3-phenyladamantane-1-carbonyl)piperazin-1-yl]propan-2-one
CID 159393211
3,4-dihydro-1H-isoquinolin-2-yl-(3-phenyl-1-adamantyl)methanone
CID 52990849
[4-[(5S,7S)-3-(4-methylphenyl)adamantane-1-carbonyl]piperazin-1-yl]-phenylmethanone
CID 98171398
(5S,7S)-3-phenyladamantane-1-carboxylic acid
CID 98062703
1-[3-(4-methylphenyl)adamantane-1-carbonyl]piperidine-4-carbonitrile
CID 49062811
2-(4-methylpiperazin-1-yl)-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone
CID 98163076
2-(methylamino)-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone
CID 98161313
1-adamantyl-(4-phenylpiperidin-1-yl)methanone
CID 2921328

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone (CID 52510430) is (4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone is CC1CCN(C(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone?
The InChIKey is FEWQATWZNHLVOP-MGAZVUHYSA-N. The full InChI is InChI=1S/C23H31NO/c1-17-7-9-24(10-8-17)21(25)23-14-18-11-19(15-23)13-22(12-18,16-23)20-5-3-2-4-6-20/h2-6,17-19H,7-16H2,1H3/t18-,19+,22?,23?.
What are the key properties of (4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone?
(4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone has a molecular weight of 337.51 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone is sourced from PubChem (CID 52510430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).