N-(1-adamantyl)-3-methylpiperidine-1-carboxamide

C17H28N2O — CID 5141458

IUPACN-(1-adamantyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C17H28N2O/c1-12-3-2-4-19(11-12)16(20)18-17-8-13-5-14(9-17)7-15(6-13)10-17/h12-15H,2-11H2,1H3,(H,18,20)
InChIKeyKSFRAENCDJLQQQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.40
Rot. Bonds1

About N-(1-adamantyl)-3-methylpiperidine-1-carboxamide

N-(1-adamantyl)-3-methylpiperidine-1-carboxamide (PubChem CID 5141458) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(1-adamantyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-methylpiperidine-1-carboxamide
PubChem CID5141458
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(1-adamantyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C17H28N2O/c1-12-3-2-4-19(11-12)16(20)18-17-8-13-5-14(9-17)7-15(6-13)10-17/h12-15H,2-11H2,1H3,(H,18,20)
InChIKeyKSFRAENCDJLQQQ-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-adamantyl)-3,3-dimethyl-5-(3-methylpiperidin-1-yl)-5-oxopentanamide
CID 69169794
N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride
CID 154904087
(2R,6R)-N-(1-adamantyl)-2,6-dimethylmorpholine-4-carboxamide
CID 7309747
N-(1-adamantyl)-2-methylpiperidine-1-carboxamide
CID 2981068
1-(1-adamantyl)-3-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-(3-methylpiperidin-1-yl)carbonimidoyl]urea
CID 135771504
N-(1-adamantyl)-3-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 90541078
N-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165113
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide
CID 43146182
N-(1-adamantyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 7126890
(3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide
CID 99970201
3-methylpiperidine-1-carboxylic acid
CID 22047728

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-3-methylpiperidine-1-carboxamide (CID 5141458) is N-(1-adamantyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of N-(1-adamantyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is KSFRAENCDJLQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12-3-2-4-19(11-12)16(20)18-17-8-13-5-14(9-17)7-15(6-13)10-17/h12-15H,2-11H2,1H3,(H,18,20).
What are the key properties of N-(1-adamantyl)-3-methylpiperidine-1-carboxamide?
N-(1-adamantyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 276.42 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 5141458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).