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

C22H30N2O — CID 46231440

IUPACN-(2-adamantyl)-3-phenylpiperidine-1-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C22H30N2O/c25-22(23-21-19-10-15-9-16(12-19)13-20(21)11-15)24-8-4-7-18(14-24)17-5-2-1-3-6-17/h1-3,5-6,15-16,18-21H,4,7-14H2,(H,23,25)
InChIKeyRKMDPZGRAJLGJP-UHFFFAOYSA-N
MW338.49 g/mol
LogP4.40
Rot. Bonds2

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

N-(2-adamantyl)-3-phenylpiperidine-1-carboxamide (PubChem CID 46231440) has the molecular formula C22H30N2O and a molecular weight of 338.49 g/mol. Its IUPAC name is N-(2-adamantyl)-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-phenylpiperidine-1-carboxamide
PubChem CID46231440
Molecular FormulaC22H30N2O
Molecular Weight338.49 g/mol
Exact Mass338.24
IUPAC NameN-(2-adamantyl)-3-phenylpiperidine-1-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C22H30N2O/c25-22(23-21-19-10-15-9-16(12-19)13-20(21)11-15)24-8-4-7-18(14-24)17-5-2-1-3-6-17/h1-3,5-6,15-16,18-21H,4,7-14H2,(H,23,25)
InChIKeyRKMDPZGRAJLGJP-UHFFFAOYSA-N
XLogP4.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.40
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
N,4-dibenzhydrylpiperazine-1-carboxamide
CID 10115592
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
3-Benzyl-piperidine-1-carboxylic acid adamantan-2-ylamide
CID 46231437
N-(2-adamantyl)-4-phenylpiperidine-1-carboxamide
CID 46231441
3-methyl-3-phenyl-N-((1S,2R)-2-phenylcyclopropyl)piperidine-1-carboxamide
CID 46882917
N-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide
CID 118728606
N-(1-adamantylmethyl)-N'-benzylurea
CID 2926477

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(2-adamantyl)-3-phenylpiperidine-1-carboxamide (CID 46231440) is N-(2-adamantyl)-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-adamantyl)-3-phenylpiperidine-1-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC(c2ccccc2)C1.
What is the InChIKey of N-(2-adamantyl)-3-phenylpiperidine-1-carboxamide?
The InChIKey is RKMDPZGRAJLGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c25-22(23-21-19-10-15-9-16(12-19)13-20(21)11-15)24-8-4-7-18(14-24)17-5-2-1-3-6-17/h1-3,5-6,15-16,18-21H,4,7-14H2,(H,23,25).
What are the key properties of N-(2-adamantyl)-3-phenylpiperidine-1-carboxamide?
N-(2-adamantyl)-3-phenylpiperidine-1-carboxamide has a molecular weight of 338.49 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46231440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).