N-(3-ethoxypropyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide

C14H25F3N2O2 — CID 61030194

IUPACN-(3-ethoxypropyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CC1CCNCC1
InChIInChI=1S/C14H25F3N2O2/c1-2-21-9-3-8-19(11-14(15,16)17)13(20)10-12-4-6-18-7-5-12/h12,18H,2-11H2,1H3
InChIKeyRDLXMPALDMTWTO-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.19
Rot. Bonds8

About N-(3-ethoxypropyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide

N-(3-ethoxypropyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61030194) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61030194
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC NameN-(3-ethoxypropyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CC1CCNCC1
InChIInChI=1S/C14H25F3N2O2/c1-2-21-9-3-8-19(11-14(15,16)17)13(20)10-12-4-6-18-7-5-12/h12,18H,2-11H2,1H3
InChIKeyRDLXMPALDMTWTO-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.19
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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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 61030194) is N-(3-ethoxypropyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide is CCOCCCN(CC(F)(F)F)C(=O)CC1CCNCC1.
What is the InChIKey of N-(3-ethoxypropyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RDLXMPALDMTWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-2-21-9-3-8-19(11-14(15,16)17)13(20)10-12-4-6-18-7-5-12/h12,18H,2-11H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
N-(3-ethoxypropyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61030194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).