N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide

C23H31ClN2O — CID 45019105

IUPACN-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H31ClN2O/c24-21-3-1-16(2-4-21)15-26-7-5-20(6-8-26)22(27)25-23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-20H,5-15H2,(H,25,27)
InChIKeyNHDARUAJECLAQO-UHFFFAOYSA-N
MW386.97 g/mol
LogP4.64
Rot. Bonds4

About N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide

N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 45019105) has the molecular formula C23H31ClN2O and a molecular weight of 386.97 g/mol. Its IUPAC name is N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID45019105
Molecular FormulaC23H31ClN2O
Molecular Weight386.97 g/mol
Exact Mass386.21
IUPAC NameN-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H31ClN2O/c24-21-3-1-16(2-4-21)15-26-7-5-20(6-8-26)22(27)25-23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-20H,5-15H2,(H,25,27)
InChIKeyNHDARUAJECLAQO-UHFFFAOYSA-N
XLogP4.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.97
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide
CID 41455586
N-(1-adamantyl)-1-[2-(3,4-difluorophenyl)acetyl]piperidine-4-carboxamide
CID 68839233
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 124832494
N-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26909871
N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45016872
N-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 19293511
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920957
1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 45109747
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
N-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide
CID 25192712
1-(1-adamantyl)-3-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]urea
CID 19447772
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide (CID 45019105) is N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is NHDARUAJECLAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN2O/c24-21-3-1-16(2-4-21)15-26-7-5-20(6-8-26)22(27)25-23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-20H,5-15H2,(H,25,27).
What are the key properties of N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 386.97 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 45019105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).