N-(2-adamantyl)-3-benzylpiperidine-1-carboxamide

C23H32N2O — CID 46231437

IUPACN-(2-adamantyl)-3-benzylpiperidine-1-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)N1CCCC(Cc2ccccc2)C1
InChIInChI=1S/C23H32N2O/c26-23(24-22-20-11-18-10-19(13-20)14-21(22)12-18)25-8-4-7-17(15-25)9-16-5-2-1-3-6-16/h1-3,5-6,17-22H,4,7-15H2,(H,24,26)
InChIKeyMURFOEYIMQOXKM-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.48
Rot. Bonds3

About N-(2-adamantyl)-3-benzylpiperidine-1-carboxamide

N-(2-adamantyl)-3-benzylpiperidine-1-carboxamide (PubChem CID 46231437) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is N-(2-adamantyl)-3-benzylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-benzylpiperidine-1-carboxamide
PubChem CID46231437
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC NameN-(2-adamantyl)-3-benzylpiperidine-1-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)N1CCCC(Cc2ccccc2)C1
InChIInChI=1S/C23H32N2O/c26-23(24-22-20-11-18-10-19(13-20)14-21(22)12-18)25-8-4-7-17(15-25)9-16-5-2-1-3-6-16/h1-3,5-6,17-22H,4,7-15H2,(H,24,26)
InChIKeyMURFOEYIMQOXKM-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
1-Adamantan-1-yl-3-(1-benzyl-piperidin-4-yl)-urea
CID 2955557
1-[2-(Dimethylamino)ethyl]-3-[3-(4-methylphenyl)-1-adamantyl]urea
CID 3424493
1-(1-Adamantyl)-3-(3-phenylpropyl)urea
CID 2982952
N-(adamantan-2-yl)-2,3-dihydrospiro[indene-1,4''-piperidine]-1''-carboxamide
CID 25064398
N-(2-adamantyl)-1,3-dihydrospiro[indene-2,3'-piperidine]-1'-carboxamide
CID 46231489
1-adamantan-1-yl-3-((R)-1-phenyl-ethyl)-urea
CID 44419692
N-(2-adamantyl)-3-phenylpiperidine-1-carboxamide
CID 46231440
N-(2-adamantyl)-4-phenylpiperidine-1-carboxamide
CID 46231441
N-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide
CID 118728606
N-adamantanyl{[2-(4-fluorophenyl)ethyl]amino}carboxamide
CID 2982729
1-(1-Adamantyl)-3-benzylurea
CID 3758167

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-benzylpiperidine-1-carboxamide?
The IUPAC name of N-(2-adamantyl)-3-benzylpiperidine-1-carboxamide (CID 46231437) is N-(2-adamantyl)-3-benzylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-3-benzylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-adamantyl)-3-benzylpiperidine-1-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC(Cc2ccccc2)C1.
What is the InChIKey of N-(2-adamantyl)-3-benzylpiperidine-1-carboxamide?
The InChIKey is MURFOEYIMQOXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c26-23(24-22-20-11-18-10-19(13-20)14-21(22)12-18)25-8-4-7-17(15-25)9-16-5-2-1-3-6-16/h1-3,5-6,17-22H,4,7-15H2,(H,24,26).
What are the key properties of N-(2-adamantyl)-3-benzylpiperidine-1-carboxamide?
N-(2-adamantyl)-3-benzylpiperidine-1-carboxamide has a molecular weight of 352.52 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-benzylpiperidine-1-carboxamide is sourced from PubChem (CID 46231437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).