N-[4-(2-ethyl-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]formamide

C18H28N2O2 — CID 101043141

IUPACN-[4-(2-ethyl-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]formamide
SMILESCCC1CC(c2ccc(NC=O)c(OC(C)C)c2)CCN1C
InChIInChI=1S/C18H28N2O2/c1-5-16-10-15(8-9-20(16)4)14-6-7-17(19-12-21)18(11-14)22-13(2)3/h6-7,11-13,15-16H,5,8-10H2,1-4H3,(H,19,21)
InChIKeyBWQDQPDBGUXUMF-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.63
Rot. Bonds6

About N-[4-(2-ethyl-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]formamide

N-[4-(2-ethyl-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]formamide (PubChem CID 101043141) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[4-(2-ethyl-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]formamide.

Molecular Properties

Compound NameN-[4-(2-ethyl-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]formamide
PubChem CID101043141
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[4-(2-ethyl-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]formamide
SMILESCCC1CC(c2ccc(NC=O)c(OC(C)C)c2)CCN1C
InChIInChI=1S/C18H28N2O2/c1-5-16-10-15(8-9-20(16)4)14-6-7-17(19-12-21)18(11-14)22-13(2)3/h6-7,11-13,15-16H,5,8-10H2,1-4H3,(H,19,21)
InChIKeyBWQDQPDBGUXUMF-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethyl-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]formamide?
The IUPAC name of N-[4-(2-ethyl-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]formamide (CID 101043141) is N-[4-(2-ethyl-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]formamide.
What is the SMILES notation for N-[4-(2-ethyl-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]formamide?
The canonical SMILES for N-[4-(2-ethyl-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]formamide is CCC1CC(c2ccc(NC=O)c(OC(C)C)c2)CCN1C.
What is the InChIKey of N-[4-(2-ethyl-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]formamide?
The InChIKey is BWQDQPDBGUXUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-16-10-15(8-9-20(16)4)14-6-7-17(19-12-21)18(11-14)22-13(2)3/h6-7,11-13,15-16H,5,8-10H2,1-4H3,(H,19,21).
What are the key properties of N-[4-(2-ethyl-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]formamide?
N-[4-(2-ethyl-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]formamide has a molecular weight of 304.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethyl-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]formamide is sourced from PubChem (CID 101043141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).