2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide

C13H16Cl2N2O — CID 1480241

IUPAC2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C(Cl)Cl
InChIInChI=1S/C13H16Cl2N2O/c14-12(15)13(18)16-10-4-6-11(7-5-10)17-8-2-1-3-9-17/h4-7,12H,1-3,8-9H2,(H,16,18)
InChIKeyMRYKQSLWKVUBON-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.42
Rot. Bonds3

About 2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide

2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 1480241) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID1480241
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C(Cl)Cl
InChIInChI=1S/C13H16Cl2N2O/c14-12(15)13(18)16-10-4-6-11(7-5-10)17-8-2-1-3-9-17/h4-7,12H,1-3,8-9H2,(H,16,18)
InChIKeyMRYKQSLWKVUBON-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[4-(azepan-1-yl)phenyl]-2-chloropropanamide
CID 51869081
(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
CID 54996178
(2R)-2-amino-N-[4-(azepan-1-yl)phenyl]-3-methylbutanamide
CID 79011906
3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 62727759
N-[4-(azepan-1-yl)phenyl]-2-bromobutanamide
CID 62855929
2-bromo-N-(4-piperidin-1-ylphenyl)butanamide
CID 62856119
(2S)-2-amino-N-[4-(azepan-1-yl)phenyl]butanamide
CID 79022944
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 134062601
(2S)-2-(azepan-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 9267789
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
N-[4-(azepan-1-yl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 18291163

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide (CID 1480241) is 2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide is O=C(Nc1ccc(N2CCCCC2)cc1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is MRYKQSLWKVUBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c14-12(15)13(18)16-10-4-6-11(7-5-10)17-8-2-1-3-9-17/h4-7,12H,1-3,8-9H2,(H,16,18).
What are the key properties of 2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide?
2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 287.19 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 1480241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).