N-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide

C23H32N2O — CID 41455586

IUPACN-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C23H32N2O/c26-22(24-23-13-18-10-19(14-23)12-20(11-18)15-23)21-6-4-17(5-7-21)16-25-8-2-1-3-9-25/h4-7,18-20H,1-3,8-16H2,(H,24,26)
InChIKeyYQSZSBJRUZQCDA-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.37
Rot. Bonds4

About N-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide

N-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 41455586) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is N-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide
PubChem CID41455586
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC NameN-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C23H32N2O/c26-22(24-23-13-18-10-19(14-23)12-20(11-18)15-23)21-6-4-17(5-7-21)16-25-8-2-1-3-9-25/h4-7,18-20H,1-3,8-16H2,(H,24,26)
InChIKeyYQSZSBJRUZQCDA-UHFFFAOYSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)-4-(aminomethyl)benzamide;hydrochloride
CID 119261555
N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45019105
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide
CID 25192712
N-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 19293511
N-(1-adamantyl)-4-sulfanylbenzamide
CID 107019898
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 98112476
N-(1-adamantylmethyl)-4-(morpholin-4-ylmethyl)benzamide
CID 9047114
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide (CID 41455586) is N-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is YQSZSBJRUZQCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c26-22(24-23-13-18-10-19(14-23)12-20(11-18)15-23)21-6-4-17(5-7-21)16-25-8-2-1-3-9-25/h4-7,18-20H,1-3,8-16H2,(H,24,26).
What are the key properties of N-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide?
N-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 352.52 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 41455586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).