N-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide

C14H26F3N3O — CID 83992738

IUPACN-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide
SMILESCCCC1CC(NCC(F)(F)F)CN(CCNC(C)=O)C1
InChIInChI=1S/C14H26F3N3O/c1-3-4-12-7-13(19-10-14(15,16)17)9-20(8-12)6-5-18-11(2)21/h12-13,19H,3-10H2,1-2H3,(H,18,21)
InChIKeyVDEMZFUYWLZCGB-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.76
Rot. Bonds7

About N-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide

N-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide (PubChem CID 83992738) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is N-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide
PubChem CID83992738
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC NameN-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide
SMILESCCCC1CC(NCC(F)(F)F)CN(CCNC(C)=O)C1
InChIInChI=1S/C14H26F3N3O/c1-3-4-12-7-13(19-10-14(15,16)17)9-20(8-12)6-5-18-11(2)21/h12-13,19H,3-10H2,1-2H3,(H,18,21)
InChIKeyVDEMZFUYWLZCGB-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542522
methyl N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]carbamate
CID 112543607
1-(cyclopropylmethyl)-5-propyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992525
2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992175
N-[2-[3-ethyl-5-(2-methylpropylamino)piperidin-1-yl]ethyl]acetamide
CID 83994814
N-[2-[3-(cyclopentylmethylamino)-5-ethylpiperidin-1-yl]ethyl]acetamide
CID 83998272
1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992169
methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543606
1-cyclopropyl-5-propyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992454
1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992134
2-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992721
2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992106

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide (CID 83992738) is N-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide is CCCC1CC(NCC(F)(F)F)CN(CCNC(C)=O)C1.
What is the InChIKey of N-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide?
The InChIKey is VDEMZFUYWLZCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-3-4-12-7-13(19-10-14(15,16)17)9-20(8-12)6-5-18-11(2)21/h12-13,19H,3-10H2,1-2H3,(H,18,21).
What are the key properties of N-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide?
N-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide has a molecular weight of 309.38 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 83992738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).