N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide

C16H30N2O2 — CID 56785441

IUPACN-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-2-20-12-10-16(19)17-14-7-6-11-18(13-14)15-8-4-3-5-9-15/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyFLTLUSDZRRMKFC-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.33
Rot. Bonds6

About N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide

N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide (PubChem CID 56785441) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide
PubChem CID56785441
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-2-20-12-10-16(19)17-14-7-6-11-18(13-14)15-8-4-3-5-9-15/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyFLTLUSDZRRMKFC-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide
CID 45243625
N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide
CID 42567206
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide
CID 122559584
1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea
CID 42383897
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 42452936
ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate
CID 25384080
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide
CID 42342863
N-(1-cycloheptylpiperidin-3-yl)-3-(1,2-oxazolidin-2-yl)propanamide
CID 45247907
ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 46872062
N-[(3S)-1-cyclohexylpiperidin-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 125164899
N-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide
CID 45214844
N-(1-cycloheptylpiperidin-3-yl)cyclopentanecarboxamide
CID 45199037

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide?
The IUPAC name of N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide (CID 56785441) is N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide.
What is the SMILES notation for N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide?
The canonical SMILES for N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide is CCOCCC(=O)NC1CCCN(C2CCCCC2)C1.
What is the InChIKey of N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide?
The InChIKey is FLTLUSDZRRMKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-20-12-10-16(19)17-14-7-6-11-18(13-14)15-8-4-3-5-9-15/h14-15H,2-13H2,1H3,(H,17,19).
What are the key properties of N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide?
N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide has a molecular weight of 282.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide is sourced from PubChem (CID 56785441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).