3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)adamantane-1-carboxamide

C18H27ClN2O2 — CID 17410513

IUPAC3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(Cl)(C3)C1)C2)N1CCCCC1
InChIInChI=1S/C18H27ClN2O2/c19-18-9-13-6-14(10-18)8-17(7-13,12-18)16(23)20-11-15(22)21-4-2-1-3-5-21/h13-14H,1-12H2,(H,20,23)
InChIKeyRYXPPNRZUWUMRU-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.69
Rot. Bonds3

About 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)adamantane-1-carboxamide

3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)adamantane-1-carboxamide (PubChem CID 17410513) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)adamantane-1-carboxamide
PubChem CID17410513
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(Cl)(C3)C1)C2)N1CCCCC1
InChIInChI=1S/C18H27ClN2O2/c19-18-9-13-6-14(10-18)8-17(7-13,12-18)16(23)20-11-15(22)21-4-2-1-3-5-21/h13-14H,1-12H2,(H,20,23)
InChIKeyRYXPPNRZUWUMRU-UHFFFAOYSA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)adamantane-1-carboxamide?
The IUPAC name of 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)adamantane-1-carboxamide (CID 17410513) is 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)adamantane-1-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)adamantane-1-carboxamide?
The canonical SMILES for 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)adamantane-1-carboxamide is O=C(CNC(=O)C12CC3CC(CC(Cl)(C3)C1)C2)N1CCCCC1.
What is the InChIKey of 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)adamantane-1-carboxamide?
The InChIKey is RYXPPNRZUWUMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c19-18-9-13-6-14(10-18)8-17(7-13,12-18)16(23)20-11-15(22)21-4-2-1-3-5-21/h13-14H,1-12H2,(H,20,23).
What are the key properties of 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)adamantane-1-carboxamide?
3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)adamantane-1-carboxamide has a molecular weight of 338.88 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)adamantane-1-carboxamide is sourced from PubChem (CID 17410513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).