2-chloro-N-(3-piperidin-1-ylphenyl)acetamide

C13H17ClN2O — CID 43822445

IUPAC2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
SMILESO=C(CCl)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C13H17ClN2O/c14-10-13(17)15-11-5-4-6-12(9-11)16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10H2,(H,15,17)
InChIKeyTXFJTFUMHBJTBI-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.85
Rot. Bonds3

About 2-chloro-N-(3-piperidin-1-ylphenyl)acetamide

2-chloro-N-(3-piperidin-1-ylphenyl)acetamide (PubChem CID 43822445) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-chloro-N-(3-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
PubChem CID43822445
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
SMILESO=C(CCl)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C13H17ClN2O/c14-10-13(17)15-11-5-4-6-12(9-11)16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10H2,(H,15,17)
InChIKeyTXFJTFUMHBJTBI-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704662
3-acetamido-N-(3-piperidin-1-ylphenyl)propanamide
CID 110426221
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
N-[3-(azepan-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119892130
4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 54862533
N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119892181
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 60926982
7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide
CID 119892117
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 60928462
5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 114014794

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(3-piperidin-1-ylphenyl)acetamide (CID 43822445) is 2-chloro-N-(3-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(3-piperidin-1-ylphenyl)acetamide is O=C(CCl)Nc1cccc(N2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-(3-piperidin-1-ylphenyl)acetamide?
The InChIKey is TXFJTFUMHBJTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-10-13(17)15-11-5-4-6-12(9-11)16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10H2,(H,15,17).
What are the key properties of 2-chloro-N-(3-piperidin-1-ylphenyl)acetamide?
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide has a molecular weight of 252.74 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 43822445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).