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

C22H29ClN2O — CID 130269490

IUPAC3-(4-chlorophenyl)-N-piperidin-4-yladamantane-1-carboxamide
SMILESO=C(NC1CCNCC1)C12CC3CC(C1)CC(c1ccc(Cl)cc1)(C3)C2
InChIInChI=1S/C22H29ClN2O/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)
InChIKeyAHGMQMBVPKPLFE-UHFFFAOYSA-N
MW372.94 g/mol
LogP4.05
Rot. Bonds3

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

3-(4-chlorophenyl)-N-piperidin-4-yladamantane-1-carboxamide (PubChem CID 130269490) has the molecular formula C22H29ClN2O and a molecular weight of 372.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-piperidin-4-yladamantane-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-piperidin-4-yladamantane-1-carboxamide
PubChem CID130269490
Molecular FormulaC22H29ClN2O
Molecular Weight372.94 g/mol
Exact Mass372.20
IUPAC Name3-(4-chlorophenyl)-N-piperidin-4-yladamantane-1-carboxamide
SMILESO=C(NC1CCNCC1)C12CC3CC(C1)CC(c1ccc(Cl)cc1)(C3)C2
InChIInChI=1S/C22H29ClN2O/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)
InChIKeyAHGMQMBVPKPLFE-UHFFFAOYSA-N
XLogP4.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-chlorophenyl)-2-adamantyl]-N-(2-hydroxyethyl)acetamide
CID 3524599
8-[1-(4-Chloro-phenyl)-cyclohexyl]-4-phenyl-2,8-diaza-spiro[4.5]decan-1-one
CID 11223982
N-[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide
CID 18411932
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-phenylpropanamide
CID 24758171
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclohexylacetamide
CID 24758295
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methylphenyl)propanamide
CID 24758408
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide
CID 24758745
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-phenylpropanamide
CID 24759081
2-(4-Chloro-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide
CID 44392105
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-phenylbutanamide
CID 57991690
N-[2-(4-benzylpiperidin-1-yl)ethyl]-2,2-bis(4-chlorophenyl)acetamide
CID 122188775
3-phenyl-N-piperidin-4-yladamantane-1-carboxamide
CID 130268852

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-piperidin-4-yladamantane-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-piperidin-4-yladamantane-1-carboxamide (CID 130269490) is 3-(4-chlorophenyl)-N-piperidin-4-yladamantane-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-piperidin-4-yladamantane-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-piperidin-4-yladamantane-1-carboxamide is O=C(NC1CCNCC1)C12CC3CC(C1)CC(c1ccc(Cl)cc1)(C3)C2.
What is the InChIKey of 3-(4-chlorophenyl)-N-piperidin-4-yladamantane-1-carboxamide?
The InChIKey is AHGMQMBVPKPLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O/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-chlorophenyl)-N-piperidin-4-yladamantane-1-carboxamide?
3-(4-chlorophenyl)-N-piperidin-4-yladamantane-1-carboxamide has a molecular weight of 372.94 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-piperidin-4-yladamantane-1-carboxamide is sourced from PubChem (CID 130269490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).