1-[(5S,7R)-3-phenyl-1-adamantyl]-2-piperidin-1-ium-1-ylethanone

C23H32NO+ — CID 7471204

IUPAC1-[(5S,7R)-3-phenyl-1-adamantyl]-2-piperidin-1-ium-1-ylethanone
SMILESO=C(C[NH+]1CCCCC1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C23H31NO/c25-21(16-24-9-5-2-6-10-24)23-14-18-11-19(15-23)13-22(12-18,17-23)20-7-3-1-4-8-20/h1,3-4,7-8,18-19H,2,5-6,9-17H2/p+1/t18-,19+,22?,23?
InChIKeyOKUDWNOUPOGCKG-MGAZVUHYSA-O
MW338.52 g/mol
LogP3.16
Rot. Bonds4

About 1-[(5S,7R)-3-phenyl-1-adamantyl]-2-piperidin-1-ium-1-ylethanone

1-[(5S,7R)-3-phenyl-1-adamantyl]-2-piperidin-1-ium-1-ylethanone (PubChem CID 7471204) has the molecular formula C23H32NO+ and a molecular weight of 338.52 g/mol. Its IUPAC name is 1-[(5S,7R)-3-phenyl-1-adamantyl]-2-piperidin-1-ium-1-ylethanone.

Molecular Properties

Compound Name1-[(5S,7R)-3-phenyl-1-adamantyl]-2-piperidin-1-ium-1-ylethanone
PubChem CID7471204
Molecular FormulaC23H32NO+
Molecular Weight338.52 g/mol
Exact Mass338.25
IUPAC Name1-[(5S,7R)-3-phenyl-1-adamantyl]-2-piperidin-1-ium-1-ylethanone
SMILESO=C(C[NH+]1CCCCC1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C23H31NO/c25-21(16-24-9-5-2-6-10-24)23-14-18-11-19(15-23)13-22(12-18,17-23)20-7-3-1-4-8-20/h1,3-4,7-8,18-19H,2,5-6,9-17H2/p+1/t18-,19+,22?,23?
InChIKeyOKUDWNOUPOGCKG-MGAZVUHYSA-O
XLogP3.16
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(5S,7R)-3-phenyl-1-adamantyl]-2-piperidin-1-ium-1-ylethanone 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

(5S,7S)-3-phenyladamantane-1-carboxylic acid
CID 98062703
2-(methylamino)-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone
CID 98161313
azepan-1-yl-[(5S,7R)-3-phenyl-1-adamantyl]methanone
CID 52510423
1-(1-adamantyl)-2-pyrrolidin-1-ium-1-ylethanone chloride
CID 44656009
2-morpholin-4-yl-1-[(5R,7R)-3-phenyl-1-adamantyl]ethanone
CID 98161319
2-(4-methylpiperazin-1-yl)-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone
CID 98163076
2-morpholin-4-yl-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone
CID 98161318
(2-amino-2-oxoethyl) (5S,7S)-3-phenyladamantane-1-carboxylate
CID 98406265
(5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide
CID 98185678
(4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone
CID 52510430
azepan-1-yl-[1-[(5S,7S)-3-phenyladamantane-1-carbonyl]piperidin-4-yl]methanone
CID 98537815
3-[4-[4-(3-carboxy-1-adamantyl)phenyl]phenyl]adamantane-1-carboxylic acid
CID 14511576

Frequently Asked Questions

What is the IUPAC name of 1-[(5S,7R)-3-phenyl-1-adamantyl]-2-piperidin-1-ium-1-ylethanone?
The IUPAC name of 1-[(5S,7R)-3-phenyl-1-adamantyl]-2-piperidin-1-ium-1-ylethanone (CID 7471204) is 1-[(5S,7R)-3-phenyl-1-adamantyl]-2-piperidin-1-ium-1-ylethanone.
What is the SMILES notation for 1-[(5S,7R)-3-phenyl-1-adamantyl]-2-piperidin-1-ium-1-ylethanone?
The canonical SMILES for 1-[(5S,7R)-3-phenyl-1-adamantyl]-2-piperidin-1-ium-1-ylethanone is O=C(C[NH+]1CCCCC1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 1-[(5S,7R)-3-phenyl-1-adamantyl]-2-piperidin-1-ium-1-ylethanone?
The InChIKey is OKUDWNOUPOGCKG-MGAZVUHYSA-O. The full InChI is InChI=1S/C23H31NO/c25-21(16-24-9-5-2-6-10-24)23-14-18-11-19(15-23)13-22(12-18,17-23)20-7-3-1-4-8-20/h1,3-4,7-8,18-19H,2,5-6,9-17H2/p+1/t18-,19+,22?,23?.
What are the key properties of 1-[(5S,7R)-3-phenyl-1-adamantyl]-2-piperidin-1-ium-1-ylethanone?
1-[(5S,7R)-3-phenyl-1-adamantyl]-2-piperidin-1-ium-1-ylethanone has a molecular weight of 338.52 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S,7R)-3-phenyl-1-adamantyl]-2-piperidin-1-ium-1-ylethanone is sourced from PubChem (CID 7471204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).