2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide

C13H18FN3O2 — CID 79327970

IUPAC2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
SMILESNC1CCN(CC(=O)Nc2ccc(O)c(F)c2)CC1
InChIInChI=1S/C13H18FN3O2/c14-11-7-10(1-2-12(11)18)16-13(19)8-17-5-3-9(15)4-6-17/h1-2,7,9,18H,3-6,8,15H2,(H,16,19)
InChIKeyBEWWNQOJZUVFQW-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.89
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide

2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide (PubChem CID 79327970) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
PubChem CID79327970
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
SMILESNC1CCN(CC(=O)Nc2ccc(O)c(F)c2)CC1
InChIInChI=1S/C13H18FN3O2/c14-11-7-10(1-2-12(11)18)16-13(19)8-17-5-3-9(15)4-6-17/h1-2,7,9,18H,3-6,8,15H2,(H,16,19)
InChIKeyBEWWNQOJZUVFQW-UHFFFAOYSA-N
XLogP0.89
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738459
2-(4-aminopiperidin-1-yl)-N-(3,5-difluorophenyl)acetamide
CID 43556684
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 119933635
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629
2-(3-aminopyrrolidin-1-yl)-N-(3,5-difluorophenyl)acetamide;hydrochloride
CID 119917422
5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 79323581
2-(4-aminopiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 79322239
2-(4-aminopiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119907372
2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 119908193
2-(4-aminopiperidin-1-yl)-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
CID 107680442
2-(4-aminopiperidin-1-yl)-N-(2-hydroxyphenyl)acetamide
CID 79327429
2-(4-aminopiperidin-1-yl)-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
CID 118227484

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide (CID 79327970) is 2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide is NC1CCN(CC(=O)Nc2ccc(O)c(F)c2)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide?
The InChIKey is BEWWNQOJZUVFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c14-11-7-10(1-2-12(11)18)16-13(19)8-17-5-3-9(15)4-6-17/h1-2,7,9,18H,3-6,8,15H2,(H,16,19).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide?
2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide has a molecular weight of 267.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide is sourced from PubChem (CID 79327970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).