N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide

C16H24FN3O — CID 114515633

IUPACN-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide
SMILESCN1CCC(CCNCC(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O/c1-20-10-7-13(8-11-20)6-9-18-12-16(21)19-15-5-3-2-4-14(15)17/h2-5,13,18H,6-12H2,1H3,(H,19,21)
InChIKeyDOHNRYVJJPREFS-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.09
Rot. Bonds6

About N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide

N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide (PubChem CID 114515633) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide
PubChem CID114515633
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC NameN-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide
SMILESCN1CCC(CCNCC(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O/c1-20-10-7-13(8-11-20)6-9-18-12-16(21)19-15-5-3-2-4-14(15)17/h2-5,13,18H,6-12H2,1H3,(H,19,21)
InChIKeyDOHNRYVJJPREFS-UHFFFAOYSA-N
XLogP2.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclohexylethylamino)-N-(2-fluorophenyl)acetamide
CID 60921066
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 62977435
N-(2-fluorophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110858575
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-fluorophenyl)acetamide
CID 60856711
2-(cyclohexylmethylamino)-N-(2-fluorophenyl)acetamide
CID 43215446
N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
CID 60921067
N-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide
CID 114515397
2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
CID 28586883
2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 28568733
N-(2-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110858773
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide (CID 114515633) is N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide is CN1CCC(CCNCC(=O)Nc2ccccc2F)CC1.
What is the InChIKey of N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide?
The InChIKey is DOHNRYVJJPREFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-20-10-7-13(8-11-20)6-9-18-12-16(21)19-15-5-3-2-4-14(15)17/h2-5,13,18H,6-12H2,1H3,(H,19,21).
What are the key properties of N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide?
N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide has a molecular weight of 293.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide is sourced from PubChem (CID 114515633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).