3-methyl-5-phenyl-N-(piperidin-4-ylmethyl)adamantane-1-carboxamide

C24H34N2O — CID 130269237

IUPAC3-methyl-5-phenyl-N-(piperidin-4-ylmethyl)adamantane-1-carboxamide
SMILESCC12CC3CC(C(=O)NCC4CCNCC4)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C24H34N2O/c1-22-11-19-12-23(15-22,20-5-3-2-4-6-20)17-24(13-19,16-22)21(27)26-14-18-7-9-25-10-8-18/h2-6,18-19,25H,7-17H2,1H3,(H,26,27)
InChIKeyWBFGTDLDSUZMTA-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.03
Rot. Bonds4

About 3-methyl-5-phenyl-N-(piperidin-4-ylmethyl)adamantane-1-carboxamide

3-methyl-5-phenyl-N-(piperidin-4-ylmethyl)adamantane-1-carboxamide (PubChem CID 130269237) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 3-methyl-5-phenyl-N-(piperidin-4-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3-methyl-5-phenyl-N-(piperidin-4-ylmethyl)adamantane-1-carboxamide
PubChem CID130269237
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name3-methyl-5-phenyl-N-(piperidin-4-ylmethyl)adamantane-1-carboxamide
SMILESCC12CC3CC(C(=O)NCC4CCNCC4)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C24H34N2O/c1-22-11-19-12-23(15-22,20-5-3-2-4-6-20)17-24(13-19,16-22)21(27)26-14-18-7-9-25-10-8-18/h2-6,18-19,25H,7-17H2,1H3,(H,26,27)
InChIKeyWBFGTDLDSUZMTA-UHFFFAOYSA-N
XLogP4.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-N-(piperidin-4-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of 3-methyl-5-phenyl-N-(piperidin-4-ylmethyl)adamantane-1-carboxamide (CID 130269237) is 3-methyl-5-phenyl-N-(piperidin-4-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for 3-methyl-5-phenyl-N-(piperidin-4-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for 3-methyl-5-phenyl-N-(piperidin-4-ylmethyl)adamantane-1-carboxamide is CC12CC3CC(C(=O)NCC4CCNCC4)(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 3-methyl-5-phenyl-N-(piperidin-4-ylmethyl)adamantane-1-carboxamide?
The InChIKey is WBFGTDLDSUZMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-22-11-19-12-23(15-22,20-5-3-2-4-6-20)17-24(13-19,16-22)21(27)26-14-18-7-9-25-10-8-18/h2-6,18-19,25H,7-17H2,1H3,(H,26,27).
What are the key properties of 3-methyl-5-phenyl-N-(piperidin-4-ylmethyl)adamantane-1-carboxamide?
3-methyl-5-phenyl-N-(piperidin-4-ylmethyl)adamantane-1-carboxamide has a molecular weight of 366.55 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-N-(piperidin-4-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 130269237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).