N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-hydroxycyclohexyl)acetamide

C18H34N2O2 — CID 111331881

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCC1CC(C)CN(CCCNC(=O)CC2(O)CCCCC2)C1
InChIInChI=1S/C18H34N2O2/c1-15-11-16(2)14-20(13-15)10-6-9-19-17(21)12-18(22)7-4-3-5-8-18/h15-16,22H,3-14H2,1-2H3,(H,19,21)
InChIKeyIRWQHPVISOPUGJ-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.56
Rot. Bonds6

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-hydroxycyclohexyl)acetamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111331881) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111331881
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCC1CC(C)CN(CCCNC(=O)CC2(O)CCCCC2)C1
InChIInChI=1S/C18H34N2O2/c1-15-11-16(2)14-20(13-15)10-6-9-19-17(21)12-18(22)7-4-3-5-8-18/h15-16,22H,3-14H2,1-2H3,(H,19,21)
InChIKeyIRWQHPVISOPUGJ-UHFFFAOYSA-N
XLogP2.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 71984182
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide
CID 102557187
2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]acetamide
CID 100646202
2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]acetamide
CID 100646213
2,2-difluoro-2-(1-hydroxycyclohexyl)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
CID 119035637
N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 137844415
2-[1-[2,2-difluoro-2-(1-hydroxycyclohexyl)acetyl]-3-hydroxypiperidin-3-yl]-N-methylacetamide
CID 137883594
2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]acetamide
CID 137980702
1-acetyl-N-[2,2-difluoro-2-(1-hydroxycyclohexyl)ethyl]piperidine-3-carboxamide
CID 138022382
2-(1-hydroxycyclohexyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
CID 154739437
2-(1-hydroxycyclohexyl)-N-(4-morpholin-4-ylbutan-2-yl)acetamide
CID 71866790
N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]cyclohexanecarboxamide
CID 20137905

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-hydroxycyclohexyl)acetamide (CID 111331881) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-hydroxycyclohexyl)acetamide is CC1CC(C)CN(CCCNC(=O)CC2(O)CCCCC2)C1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is IRWQHPVISOPUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-15-11-16(2)14-20(13-15)10-6-9-19-17(21)12-18(22)7-4-3-5-8-18/h15-16,22H,3-14H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-hydroxycyclohexyl)acetamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 310.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111331881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).