N-cyclohexyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-propan-2-ylacetamide

C17H32N2O2 — CID 60669804

IUPACN-cyclohexyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN1CCCC(CO)C1)C1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-14(2)19(16-8-4-3-5-9-16)17(21)12-18-10-6-7-15(11-18)13-20/h14-16,20H,3-13H2,1-2H3
InChIKeyDPQLCLTUJJEHCZ-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.26
Rot. Bonds5

About N-cyclohexyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-propan-2-ylacetamide

N-cyclohexyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 60669804) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID60669804
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-cyclohexyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN1CCCC(CO)C1)C1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-14(2)19(16-8-4-3-5-9-16)17(21)12-18-10-6-7-15(11-18)13-20/h14-16,20H,3-13H2,1-2H3
InChIKeyDPQLCLTUJJEHCZ-UHFFFAOYSA-N
XLogP2.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-cyclohexyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-propan-2-ylacetamide (CID 60669804) is N-cyclohexyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-propan-2-ylacetamide is CC(C)N(C(=O)CN1CCCC(CO)C1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is DPQLCLTUJJEHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14(2)19(16-8-4-3-5-9-16)17(21)12-18-10-6-7-15(11-18)13-20/h14-16,20H,3-13H2,1-2H3.
What are the key properties of N-cyclohexyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
N-cyclohexyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 296.45 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 60669804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).