N-(1-butanoylpiperidin-4-yl)-2-cyclohexyl-2-hydroxyacetamide

C17H30N2O3 — CID 25109035

IUPACN-(1-butanoylpiperidin-4-yl)-2-cyclohexyl-2-hydroxyacetamide
SMILESCCCC(=O)N1CCC(NC(=O)C(O)C2CCCCC2)CC1
InChIInChI=1S/C17H30N2O3/c1-2-6-15(20)19-11-9-14(10-12-19)18-17(22)16(21)13-7-4-3-5-8-13/h13-14,16,21H,2-12H2,1H3,(H,18,22)
InChIKeyPIUQPQBDUGDARV-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.83
Rot. Bonds5

About N-(1-butanoylpiperidin-4-yl)-2-cyclohexyl-2-hydroxyacetamide

N-(1-butanoylpiperidin-4-yl)-2-cyclohexyl-2-hydroxyacetamide (PubChem CID 25109035) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(1-butanoylpiperidin-4-yl)-2-cyclohexyl-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(1-butanoylpiperidin-4-yl)-2-cyclohexyl-2-hydroxyacetamide
PubChem CID25109035
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC NameN-(1-butanoylpiperidin-4-yl)-2-cyclohexyl-2-hydroxyacetamide
SMILESCCCC(=O)N1CCC(NC(=O)C(O)C2CCCCC2)CC1
InChIInChI=1S/C17H30N2O3/c1-2-6-15(20)19-11-9-14(10-12-19)18-17(22)16(21)13-7-4-3-5-8-13/h13-14,16,21H,2-12H2,1H3,(H,18,22)
InChIKeyPIUQPQBDUGDARV-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-butanoylpiperidin-4-yl)-2-cyclohexyl-2-hydroxyacetamide?
The IUPAC name of N-(1-butanoylpiperidin-4-yl)-2-cyclohexyl-2-hydroxyacetamide (CID 25109035) is N-(1-butanoylpiperidin-4-yl)-2-cyclohexyl-2-hydroxyacetamide.
What is the SMILES notation for N-(1-butanoylpiperidin-4-yl)-2-cyclohexyl-2-hydroxyacetamide?
The canonical SMILES for N-(1-butanoylpiperidin-4-yl)-2-cyclohexyl-2-hydroxyacetamide is CCCC(=O)N1CCC(NC(=O)C(O)C2CCCCC2)CC1.
What is the InChIKey of N-(1-butanoylpiperidin-4-yl)-2-cyclohexyl-2-hydroxyacetamide?
The InChIKey is PIUQPQBDUGDARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-2-6-15(20)19-11-9-14(10-12-19)18-17(22)16(21)13-7-4-3-5-8-13/h13-14,16,21H,2-12H2,1H3,(H,18,22).
What are the key properties of N-(1-butanoylpiperidin-4-yl)-2-cyclohexyl-2-hydroxyacetamide?
N-(1-butanoylpiperidin-4-yl)-2-cyclohexyl-2-hydroxyacetamide has a molecular weight of 310.44 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butanoylpiperidin-4-yl)-2-cyclohexyl-2-hydroxyacetamide is sourced from PubChem (CID 25109035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).