1-[4-(2-adamantylcarbamoyl)phenyl]piperidine-4-carboxylic acid

C23H30N2O3 — CID 23655014

IUPAC1-[4-(2-adamantylcarbamoyl)phenyl]piperidine-4-carboxylic acid
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C23H30N2O3/c26-22(24-21-18-10-14-9-15(12-18)13-19(21)11-14)16-1-3-20(4-2-16)25-7-5-17(6-8-25)23(27)28/h1-4,14-15,17-19,21H,5-13H2,(H,24,26)(H,27,28)
InChIKeyKPUHDBUDGSMEID-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.54
Rot. Bonds4

About 1-[4-(2-adamantylcarbamoyl)phenyl]piperidine-4-carboxylic acid

1-[4-(2-adamantylcarbamoyl)phenyl]piperidine-4-carboxylic acid (PubChem CID 23655014) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-[4-(2-adamantylcarbamoyl)phenyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-adamantylcarbamoyl)phenyl]piperidine-4-carboxylic acid
PubChem CID23655014
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-[4-(2-adamantylcarbamoyl)phenyl]piperidine-4-carboxylic acid
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C23H30N2O3/c26-22(24-21-18-10-14-9-15(12-18)13-19(21)11-14)16-1-3-20(4-2-16)25-7-5-17(6-8-25)23(27)28/h1-4,14-15,17-19,21H,5-13H2,(H,24,26)(H,27,28)
InChIKeyKPUHDBUDGSMEID-UHFFFAOYSA-N
XLogP3.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
CID 59143693
N-(2-adamantyl)-4-phenylbenzamide
CID 3608392
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
N-(2-adamantyl)-4-formamidobenzamide
CID 168651287
(3R)-1-[5-(2-adamantylcarbamoyl)-6-methylsulfanyl-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 24948093
4-[4-(2-adamantylcarbamoyl)-5-cyclobutylpyrazol-1-yl]benzoic acid
CID 25007063
N-(2-adamantyl)-4-[4-[4-(2-adamantylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]benzamide
CID 4244949
N-(2-adamantyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 86906743
N-(2-adamantyl)-4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 143862154
4-[4-(2-adamantylcarbamoyl)-5-propan-2-ylpyrazol-1-yl]benzoic acid
CID 25006688
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid
CID 120512373
N-(2-adamantyl)thiophene-3-carboxamide
CID 24555583

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-adamantylcarbamoyl)phenyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(2-adamantylcarbamoyl)phenyl]piperidine-4-carboxylic acid (CID 23655014) is 1-[4-(2-adamantylcarbamoyl)phenyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(2-adamantylcarbamoyl)phenyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(2-adamantylcarbamoyl)phenyl]piperidine-4-carboxylic acid is O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-(2-adamantylcarbamoyl)phenyl]piperidine-4-carboxylic acid?
The InChIKey is KPUHDBUDGSMEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c26-22(24-21-18-10-14-9-15(12-18)13-19(21)11-14)16-1-3-20(4-2-16)25-7-5-17(6-8-25)23(27)28/h1-4,14-15,17-19,21H,5-13H2,(H,24,26)(H,27,28).
What are the key properties of 1-[4-(2-adamantylcarbamoyl)phenyl]piperidine-4-carboxylic acid?
1-[4-(2-adamantylcarbamoyl)phenyl]piperidine-4-carboxylic acid has a molecular weight of 382.50 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-adamantylcarbamoyl)phenyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 23655014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).