2-(4-aminopiperidin-1-yl)-N-(3,5-dichloro-4-hydroxyphenyl)acetamide

C13H17Cl2N3O2 — CID 107680442

IUPAC2-(4-aminopiperidin-1-yl)-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
SMILESNC1CCN(CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC1
InChIInChI=1S/C13H17Cl2N3O2/c14-10-5-9(6-11(15)13(10)20)17-12(19)7-18-3-1-8(16)2-4-18/h5-6,8,20H,1-4,7,16H2,(H,17,19)
InChIKeyYPMOZSGVWRWZAF-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.06
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)-N-(3,5-dichloro-4-hydroxyphenyl)acetamide

2-(4-aminopiperidin-1-yl)-N-(3,5-dichloro-4-hydroxyphenyl)acetamide (PubChem CID 107680442) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(3,5-dichloro-4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
PubChem CID107680442
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
SMILESNC1CCN(CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC1
InChIInChI=1S/C13H17Cl2N3O2/c14-10-5-9(6-11(15)13(10)20)17-12(19)7-18-3-1-8(16)2-4-18/h5-6,8,20H,1-4,7,16H2,(H,17,19)
InChIKeyYPMOZSGVWRWZAF-UHFFFAOYSA-N
XLogP2.06
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.06
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-(3,5-difluorophenyl)acetamide
CID 43556684
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide
CID 79322473
2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 79327970
2-(3-aminopyrrolidin-1-yl)-N-(3,5-difluorophenyl)acetamide;hydrochloride
CID 119917422
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119933944
N-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 23555755
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 16909974
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
CID 119905192
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
5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 79323581

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(3,5-dichloro-4-hydroxyphenyl)acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(3,5-dichloro-4-hydroxyphenyl)acetamide (CID 107680442) is 2-(4-aminopiperidin-1-yl)-N-(3,5-dichloro-4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(3,5-dichloro-4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(3,5-dichloro-4-hydroxyphenyl)acetamide is NC1CCN(CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(3,5-dichloro-4-hydroxyphenyl)acetamide?
The InChIKey is YPMOZSGVWRWZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c14-10-5-9(6-11(15)13(10)20)17-12(19)7-18-3-1-8(16)2-4-18/h5-6,8,20H,1-4,7,16H2,(H,17,19).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(3,5-dichloro-4-hydroxyphenyl)acetamide?
2-(4-aminopiperidin-1-yl)-N-(3,5-dichloro-4-hydroxyphenyl)acetamide has a molecular weight of 318.20 g/mol, XLogP of 2.06, 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-(3,5-dichloro-4-hydroxyphenyl)acetamide is sourced from PubChem (CID 107680442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).