5-phenyl-N-piperidin-4-yladamantane-2-carboxamide

C22H30N2O — CID 130269289

IUPAC5-phenyl-N-piperidin-4-yladamantane-2-carboxamide
SMILESO=C(NC1CCNCC1)C1C2CC3CC1CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H30N2O/c25-21(24-19-6-8-23-9-7-19)20-16-10-15-11-17(20)14-22(12-15,13-16)18-4-2-1-3-5-18/h1-5,15-17,19-20,23H,6-14H2,(H,24,25)
InChIKeyLDICRZAJNZDHSQ-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.25
Rot. Bonds3

About 5-phenyl-N-piperidin-4-yladamantane-2-carboxamide

5-phenyl-N-piperidin-4-yladamantane-2-carboxamide (PubChem CID 130269289) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 5-phenyl-N-piperidin-4-yladamantane-2-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-piperidin-4-yladamantane-2-carboxamide
PubChem CID130269289
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name5-phenyl-N-piperidin-4-yladamantane-2-carboxamide
SMILESO=C(NC1CCNCC1)C1C2CC3CC1CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H30N2O/c25-21(24-19-6-8-23-9-7-19)20-16-10-15-11-17(20)14-22(12-15,13-16)18-4-2-1-3-5-18/h1-5,15-17,19-20,23H,6-14H2,(H,24,25)
InChIKeyLDICRZAJNZDHSQ-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-piperidin-4-yladamantane-2-carboxamide?
The IUPAC name of 5-phenyl-N-piperidin-4-yladamantane-2-carboxamide (CID 130269289) is 5-phenyl-N-piperidin-4-yladamantane-2-carboxamide.
What is the SMILES notation for 5-phenyl-N-piperidin-4-yladamantane-2-carboxamide?
The canonical SMILES for 5-phenyl-N-piperidin-4-yladamantane-2-carboxamide is O=C(NC1CCNCC1)C1C2CC3CC1CC(c1ccccc1)(C3)C2.
What is the InChIKey of 5-phenyl-N-piperidin-4-yladamantane-2-carboxamide?
The InChIKey is LDICRZAJNZDHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c25-21(24-19-6-8-23-9-7-19)20-16-10-15-11-17(20)14-22(12-15,13-16)18-4-2-1-3-5-18/h1-5,15-17,19-20,23H,6-14H2,(H,24,25).
What are the key properties of 5-phenyl-N-piperidin-4-yladamantane-2-carboxamide?
5-phenyl-N-piperidin-4-yladamantane-2-carboxamide has a molecular weight of 338.50 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-piperidin-4-yladamantane-2-carboxamide is sourced from PubChem (CID 130269289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).