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

C22H30N2O — CID 130268852

IUPAC3-phenyl-N-piperidin-4-yladamantane-1-carboxamide
SMILESO=C(NC1CCNCC1)C12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H30N2O/c25-20(24-19-6-8-23-9-7-19)22-13-16-10-17(14-22)12-21(11-16,15-22)18-4-2-1-3-5-18/h1-5,16-17,19,23H,6-15H2,(H,24,25)
InChIKeyZFBBXUVOETUUOE-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.39
Rot. Bonds3

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

3-phenyl-N-piperidin-4-yladamantane-1-carboxamide (PubChem CID 130268852) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 3-phenyl-N-piperidin-4-yladamantane-1-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-piperidin-4-yladamantane-1-carboxamide
PubChem CID130268852
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name3-phenyl-N-piperidin-4-yladamantane-1-carboxamide
SMILESO=C(NC1CCNCC1)C12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H30N2O/c25-20(24-19-6-8-23-9-7-19)22-13-16-10-17(14-22)12-21(11-16,15-22)18-4-2-1-3-5-18/h1-5,16-17,19,23H,6-15H2,(H,24,25)
InChIKeyZFBBXUVOETUUOE-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-piperidin-4-yladamantane-1-carboxamide?
The IUPAC name of 3-phenyl-N-piperidin-4-yladamantane-1-carboxamide (CID 130268852) is 3-phenyl-N-piperidin-4-yladamantane-1-carboxamide.
What is the SMILES notation for 3-phenyl-N-piperidin-4-yladamantane-1-carboxamide?
The canonical SMILES for 3-phenyl-N-piperidin-4-yladamantane-1-carboxamide is O=C(NC1CCNCC1)C12CC3CC(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 3-phenyl-N-piperidin-4-yladamantane-1-carboxamide?
The InChIKey is ZFBBXUVOETUUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c25-20(24-19-6-8-23-9-7-19)22-13-16-10-17(14-22)12-21(11-16,15-22)18-4-2-1-3-5-18/h1-5,16-17,19,23H,6-15H2,(H,24,25).
What are the key properties of 3-phenyl-N-piperidin-4-yladamantane-1-carboxamide?
3-phenyl-N-piperidin-4-yladamantane-1-carboxamide has a molecular weight of 338.50 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-piperidin-4-yladamantane-1-carboxamide is sourced from PubChem (CID 130268852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).