1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone

C26H33N3O — CID 90493512

IUPAC1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(N1CCC(Cn2ccnc2-c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H33N3O/c30-25(26-15-20-12-21(16-26)14-22(13-20)17-26)28-9-6-19(7-10-28)18-29-11-8-27-24(29)23-4-2-1-3-5-23/h1-5,8,11,19-22H,6-7,9-10,12-18H2
InChIKeySYXGKBXHADLVDT-UHFFFAOYSA-N
MW403.57 g/mol
LogP5.01
Rot. Bonds4

About 1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone

1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90493512) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is 1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID90493512
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Name1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(N1CCC(Cn2ccnc2-c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H33N3O/c30-25(26-15-20-12-21(16-26)14-22(13-20)17-26)28-9-6-19(7-10-28)18-29-11-8-27-24(29)23-4-2-1-3-5-23/h1-5,8,11,19-22H,6-7,9-10,12-18H2
InChIKeySYXGKBXHADLVDT-UHFFFAOYSA-N
XLogP5.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 56763974
N-[2-oxo-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]benzamide
CID 90492929
N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494541
1-(4-chlorophenyl)-4-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione
CID 90492938
1-(azepan-1-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494396
(2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492963
N-methyl-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494467
2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one
CID 71781081
4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90494539
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492933
[3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493030

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone (CID 90493512) is 1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone is O=C(N1CCC(Cn2ccnc2-c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is SYXGKBXHADLVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O/c30-25(26-15-20-12-21(16-26)14-22(13-20)17-26)28-9-6-19(7-10-28)18-29-11-8-27-24(29)23-4-2-1-3-5-23/h1-5,8,11,19-22H,6-7,9-10,12-18H2.
What are the key properties of 1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 403.57 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90493512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).