2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide

C14H18F3N3O — CID 103792489

IUPAC2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCc2cc(F)c(F)cc2F)CC1
InChIInChI=1S/C14H18F3N3O/c15-11-6-13(17)12(16)5-9(11)7-19-10-1-3-20(4-2-10)8-14(18)21/h5-6,10,19H,1-4,7-8H2,(H2,18,21)
InChIKeyKVLDGUULROAUAC-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.14
Rot. Bonds5

About 2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide

2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide (PubChem CID 103792489) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide
PubChem CID103792489
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCc2cc(F)c(F)cc2F)CC1
InChIInChI=1S/C14H18F3N3O/c15-11-6-13(17)12(16)5-9(11)7-19-10-1-3-20(4-2-10)8-14(18)21/h5-6,10,19H,1-4,7-8H2,(H2,18,21)
InChIKeyKVLDGUULROAUAC-UHFFFAOYSA-N
XLogP1.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 114841998
2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 103948078
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 115951528
2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 115695785
2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide
CID 66416889
2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 61038393
4-[[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]methyl]benzoic acid
CID 65347580
2-[4-[(3-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 43746822
2-[4-[(4-bromo-3-chlorophenyl)methylamino]piperidin-1-yl]acetamide
CID 103581535
2-[4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]acetamide
CID 102833952
2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide
CID 43791284
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 134047741

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide (CID 103792489) is 2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(NCc2cc(F)c(F)cc2F)CC1.
What is the InChIKey of 2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide?
The InChIKey is KVLDGUULROAUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c15-11-6-13(17)12(16)5-9(11)7-19-10-1-3-20(4-2-10)8-14(18)21/h5-6,10,19H,1-4,7-8H2,(H2,18,21).
What are the key properties of 2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide?
2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide has a molecular weight of 301.31 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 103792489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).