4-ethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-2-carboxamide

C18H32N2O — CID 114428205

IUPAC4-ethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NC2CC3CCC2(C)C3(C)C)C1
InChIInChI=1S/C18H32N2O/c1-5-12-7-9-19-14(10-12)16(21)20-15-11-13-6-8-18(15,4)17(13,2)3/h12-15,19H,5-11H2,1-4H3,(H,20,21)
InChIKeyXNXZAAXATVMYKJ-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.10
Rot. Bonds3

About 4-ethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-2-carboxamide

4-ethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-2-carboxamide (PubChem CID 114428205) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-ethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-2-carboxamide
PubChem CID114428205
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name4-ethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NC2CC3CCC2(C)C3(C)C)C1
InChIInChI=1S/C18H32N2O/c1-5-12-7-9-19-14(10-12)16(21)20-15-11-13-6-8-18(15,4)17(13,2)3/h12-15,19H,5-11H2,1-4H3,(H,20,21)
InChIKeyXNXZAAXATVMYKJ-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)piperidine-2-carboxamide
CID 114629713
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-ethylpiperidine-2-carboxylate
CID 114430095
N-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 2795155
4-oxo-4-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoate
CID 40569957
4-ethyl-N-(oxolan-3-yl)piperidine-2-carboxamide
CID 114429328
N-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide
CID 114428968
4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114428012
2-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
CID 119264698
(2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
CID 72947063
2-hydroxyethyl N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate
CID 79345179
ethyl 4-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butanoate
CID 60660753
4-oxo-4-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoic acid
CID 906419

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-2-carboxamide (CID 114428205) is 4-ethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-2-carboxamide is CCC1CCNC(C(=O)NC2CC3CCC2(C)C3(C)C)C1.
What is the InChIKey of 4-ethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-2-carboxamide?
The InChIKey is XNXZAAXATVMYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-12-7-9-19-14(10-12)16(21)20-15-11-13-6-8-18(15,4)17(13,2)3/h12-15,19H,5-11H2,1-4H3,(H,20,21).
What are the key properties of 4-ethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-2-carboxamide?
4-ethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-2-carboxamide has a molecular weight of 292.47 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-2-carboxamide is sourced from PubChem (CID 114428205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).