3-(4-fluorophenyl)-N-piperidin-4-yladamantane-1-carboxamide

C22H29FN2O — CID 130269419

IUPAC3-(4-fluorophenyl)-N-piperidin-4-yladamantane-1-carboxamide
SMILESO=C(NC1CCNCC1)C12CC3CC(C1)CC(c1ccc(F)cc1)(C3)C2
InChIInChI=1S/C22H29FN2O/c23-18-3-1-17(2-4-18)21-10-15-9-16(11-21)13-22(12-15,14-21)20(26)25-19-5-7-24-8-6-19/h1-4,15-16,19,24H,5-14H2,(H,25,26)
InChIKeyQOCMCKWVKBTUEW-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.53
Rot. Bonds3

About 3-(4-fluorophenyl)-N-piperidin-4-yladamantane-1-carboxamide

3-(4-fluorophenyl)-N-piperidin-4-yladamantane-1-carboxamide (PubChem CID 130269419) has the molecular formula C22H29FN2O and a molecular weight of 356.49 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-piperidin-4-yladamantane-1-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-piperidin-4-yladamantane-1-carboxamide
PubChem CID130269419
Molecular FormulaC22H29FN2O
Molecular Weight356.49 g/mol
Exact Mass356.23
IUPAC Name3-(4-fluorophenyl)-N-piperidin-4-yladamantane-1-carboxamide
SMILESO=C(NC1CCNCC1)C12CC3CC(C1)CC(c1ccc(F)cc1)(C3)C2
InChIInChI=1S/C22H29FN2O/c23-18-3-1-17(2-4-18)21-10-15-9-16(11-21)13-22(12-15,14-21)20(26)25-19-5-7-24-8-6-19/h1-4,15-16,19,24H,5-14H2,(H,25,26)
InChIKeyQOCMCKWVKBTUEW-UHFFFAOYSA-N
XLogP3.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide
CID 130269489
(3S,5S)-3-(fluoromethyl)-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide
CID 137435864
N-(4-aminocyclohexyl)-3-(3-methylphenyl)adamantane-1-carboxamide
CID 171762327
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 4803582
3-[4-(3-carboxylato-1-adamantyl)phenyl]adamantane-1-carboxylate
CID 3417416
3-[4-[4-(3-carboxy-1-adamantyl)phenyl]phenyl]adamantane-1-carboxylic acid
CID 14511576
3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 162525913
N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 152871733
(5S,7S)-3-phenyladamantane-1-carboxylic acid
CID 98062703
methyl 3-(4-methylphenyl)adamantane-1-carboxylate
CID 3985939
methyl (5R,7R)-3-(4-methylphenyl)adamantane-1-carboxylate
CID 98116671
(2S)-2-[[(5S,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]amino]propanoic acid
CID 2133286

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-piperidin-4-yladamantane-1-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-piperidin-4-yladamantane-1-carboxamide (CID 130269419) is 3-(4-fluorophenyl)-N-piperidin-4-yladamantane-1-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-piperidin-4-yladamantane-1-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-piperidin-4-yladamantane-1-carboxamide is O=C(NC1CCNCC1)C12CC3CC(C1)CC(c1ccc(F)cc1)(C3)C2.
What is the InChIKey of 3-(4-fluorophenyl)-N-piperidin-4-yladamantane-1-carboxamide?
The InChIKey is QOCMCKWVKBTUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O/c23-18-3-1-17(2-4-18)21-10-15-9-16(11-21)13-22(12-15,14-21)20(26)25-19-5-7-24-8-6-19/h1-4,15-16,19,24H,5-14H2,(H,25,26).
What are the key properties of 3-(4-fluorophenyl)-N-piperidin-4-yladamantane-1-carboxamide?
3-(4-fluorophenyl)-N-piperidin-4-yladamantane-1-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-piperidin-4-yladamantane-1-carboxamide is sourced from PubChem (CID 130269419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).