3-methyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide

C23H32N2O — CID 130268996

IUPAC3-methyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide
SMILESCC12CC3CC(C(=O)NC4CCNCC4)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C23H32N2O/c1-21-11-17-12-22(14-21,18-5-3-2-4-6-18)16-23(13-17,15-21)20(26)25-19-7-9-24-10-8-19/h2-6,17,19,24H,7-16H2,1H3,(H,25,26)
InChIKeyNIDKZVQMYGBNJT-UHFFFAOYSA-N
MW352.52 g/mol
LogP3.78
Rot. Bonds3

About 3-methyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide

3-methyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide (PubChem CID 130268996) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 3-methyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide.

Molecular Properties

Compound Name3-methyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide
PubChem CID130268996
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name3-methyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide
SMILESCC12CC3CC(C(=O)NC4CCNCC4)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C23H32N2O/c1-21-11-17-12-22(14-21,18-5-3-2-4-6-18)16-23(13-17,15-21)20(26)25-19-7-9-24-10-8-19/h2-6,17,19,24H,7-16H2,1H3,(H,25,26)
InChIKeyNIDKZVQMYGBNJT-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 53.78
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-yladamantane-1-carboxamide?
The IUPAC name of 3-methyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide (CID 130268996) is 3-methyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide.
What is the SMILES notation for 3-methyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide?
The canonical SMILES for 3-methyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide is CC12CC3CC(C(=O)NC4CCNCC4)(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 3-methyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide?
The InChIKey is NIDKZVQMYGBNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-21-11-17-12-22(14-21,18-5-3-2-4-6-18)16-23(13-17,15-21)20(26)25-19-7-9-24-10-8-19/h2-6,17,19,24H,7-16H2,1H3,(H,25,26).
What are the key properties of 3-methyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide?
3-methyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide has a molecular weight of 352.52 g/mol, XLogP of 3.78, 3 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-yladamantane-1-carboxamide is sourced from PubChem (CID 130268996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).