N-(2-adamantyl)-2-benzylpiperidine-1-carboxamide

C23H32N2O — CID 46231390

IUPACN-(2-adamantyl)-2-benzylpiperidine-1-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)N1CCCCC1Cc1ccccc1
InChIInChI=1S/C23H32N2O/c26-23(24-22-19-11-17-10-18(13-19)14-20(22)12-17)25-9-5-4-8-21(25)15-16-6-2-1-3-7-16/h1-3,6-7,17-22H,4-5,8-15H2,(H,24,26)
InChIKeyDNKJIHBHAFUTQD-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.62
Rot. Bonds3

About N-(2-adamantyl)-2-benzylpiperidine-1-carboxamide

N-(2-adamantyl)-2-benzylpiperidine-1-carboxamide (PubChem CID 46231390) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is N-(2-adamantyl)-2-benzylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-benzylpiperidine-1-carboxamide
PubChem CID46231390
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC NameN-(2-adamantyl)-2-benzylpiperidine-1-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)N1CCCCC1Cc1ccccc1
InChIInChI=1S/C23H32N2O/c26-23(24-22-19-11-17-10-18(13-19)14-20(22)12-17)25-9-5-4-8-21(25)15-16-6-2-1-3-7-16/h1-3,6-7,17-22H,4-5,8-15H2,(H,24,26)
InChIKeyDNKJIHBHAFUTQD-UHFFFAOYSA-N
XLogP4.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-benzylpiperidine-1-carboxamide?
The IUPAC name of N-(2-adamantyl)-2-benzylpiperidine-1-carboxamide (CID 46231390) is N-(2-adamantyl)-2-benzylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-2-benzylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-adamantyl)-2-benzylpiperidine-1-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)N1CCCCC1Cc1ccccc1.
What is the InChIKey of N-(2-adamantyl)-2-benzylpiperidine-1-carboxamide?
The InChIKey is DNKJIHBHAFUTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c26-23(24-22-19-11-17-10-18(13-19)14-20(22)12-17)25-9-5-4-8-21(25)15-16-6-2-1-3-7-16/h1-3,6-7,17-22H,4-5,8-15H2,(H,24,26).
What are the key properties of N-(2-adamantyl)-2-benzylpiperidine-1-carboxamide?
N-(2-adamantyl)-2-benzylpiperidine-1-carboxamide has a molecular weight of 352.52 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-benzylpiperidine-1-carboxamide is sourced from PubChem (CID 46231390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).