N-(1-adamantyl)-2-methylpiperidine-1-carboxamide

C17H28N2O — CID 2981068

IUPACN-(1-adamantyl)-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O/c1-12-4-2-3-5-19(12)16(20)18-17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15H,2-11H2,1H3,(H,18,20)
InChIKeyLZAMNZVSXOYSIG-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.54
Rot. Bonds1

About N-(1-adamantyl)-2-methylpiperidine-1-carboxamide

N-(1-adamantyl)-2-methylpiperidine-1-carboxamide (PubChem CID 2981068) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(1-adamantyl)-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-methylpiperidine-1-carboxamide
PubChem CID2981068
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(1-adamantyl)-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O/c1-12-4-2-3-5-19(12)16(20)18-17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15H,2-11H2,1H3,(H,18,20)
InChIKeyLZAMNZVSXOYSIG-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-methylpiperidine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-methylpiperidine-1-carboxamide (CID 2981068) is N-(1-adamantyl)-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-methylpiperidine-1-carboxamide is CC1CCCCN1C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-methylpiperidine-1-carboxamide?
The InChIKey is LZAMNZVSXOYSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12-4-2-3-5-19(12)16(20)18-17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15H,2-11H2,1H3,(H,18,20).
What are the key properties of N-(1-adamantyl)-2-methylpiperidine-1-carboxamide?
N-(1-adamantyl)-2-methylpiperidine-1-carboxamide has a molecular weight of 276.42 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 2981068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).