N-[1-(1-adamantyl)ethyl]piperidine-3-carboxamide

C18H30N2O — CID 18072126

IUPACN-[1-(1-adamantyl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCNC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N2O/c1-12(20-17(21)16-3-2-4-19-11-16)18-8-13-5-14(9-18)7-15(6-13)10-18/h12-16,19H,2-11H2,1H3,(H,20,21)
InChIKeyLLBDCHCNWSXLKN-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.71
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]piperidine-3-carboxamide

N-[1-(1-adamantyl)ethyl]piperidine-3-carboxamide (PubChem CID 18072126) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]piperidine-3-carboxamide
PubChem CID18072126
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[1-(1-adamantyl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCNC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N2O/c1-12(20-17(21)16-3-2-4-19-11-16)18-8-13-5-14(9-18)7-15(6-13)10-18/h12-16,19H,2-11H2,1H3,(H,20,21)
InChIKeyLLBDCHCNWSXLKN-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81139769
(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide
CID 104828245
(3S)-N-(1-cyclopropylethyl)piperidine-3-carboxamide
CID 81123770
N-[1-(1-adamantyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 63721859
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
(3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide
CID 81133856
(3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide
CID 106344996
(2R)-N-[(1S)-1-(1-adamantyl)ethyl]oxolane-2-carboxamide
CID 7922706
N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119262989

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]piperidine-3-carboxamide (CID 18072126) is N-[1-(1-adamantyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]piperidine-3-carboxamide is CC(NC(=O)C1CCCNC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]piperidine-3-carboxamide?
The InChIKey is LLBDCHCNWSXLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-12(20-17(21)16-3-2-4-19-11-16)18-8-13-5-14(9-18)7-15(6-13)10-18/h12-16,19H,2-11H2,1H3,(H,20,21).
What are the key properties of N-[1-(1-adamantyl)ethyl]piperidine-3-carboxamide?
N-[1-(1-adamantyl)ethyl]piperidine-3-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 18072126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).