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

C24H34N2O — CID 130269226

IUPAC3-ethyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide
SMILESCCC12CC3CC(C(=O)NC4CCNCC4)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C24H34N2O/c1-2-22-12-18-13-23(15-22,19-6-4-3-5-7-19)17-24(14-18,16-22)21(27)26-20-8-10-25-11-9-20/h3-7,18,20,25H,2,8-17H2,1H3,(H,26,27)
InChIKeyPOHHMISLEQNWBF-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.17
Rot. Bonds4

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

3-ethyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide (PubChem CID 130269226) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 3-ethyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide
PubChem CID130269226
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name3-ethyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide
SMILESCCC12CC3CC(C(=O)NC4CCNCC4)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C24H34N2O/c1-2-22-12-18-13-23(15-22,19-6-4-3-5-7-19)17-24(14-18,16-22)21(27)26-20-8-10-25-11-9-20/h3-7,18,20,25H,2,8-17H2,1H3,(H,26,27)
InChIKeyPOHHMISLEQNWBF-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide?
The IUPAC name of 3-ethyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide (CID 130269226) is 3-ethyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide.
What is the SMILES notation for 3-ethyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide?
The canonical SMILES for 3-ethyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide is CCC12CC3CC(C(=O)NC4CCNCC4)(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 3-ethyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide?
The InChIKey is POHHMISLEQNWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-2-22-12-18-13-23(15-22,19-6-4-3-5-7-19)17-24(14-18,16-22)21(27)26-20-8-10-25-11-9-20/h3-7,18,20,25H,2,8-17H2,1H3,(H,26,27).
What are the key properties of 3-ethyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide?
3-ethyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide has a molecular weight of 366.55 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide is sourced from PubChem (CID 130269226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).