2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide

C16H23ClN2O — CID 61241452

IUPAC2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
SMILESCC1CCN(CCNC(=O)C(Cl)c2ccccc2)CC1
InChIInChI=1S/C16H23ClN2O/c1-13-7-10-19(11-8-13)12-9-18-16(20)15(17)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,20)
InChIKeyIDGSSJYXYOOUOW-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.81
Rot. Bonds5

About 2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide

2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide (PubChem CID 61241452) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
PubChem CID61241452
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
SMILESCC1CCN(CCNC(=O)C(Cl)c2ccccc2)CC1
InChIInChI=1S/C16H23ClN2O/c1-13-7-10-19(11-8-13)12-9-18-16(20)15(17)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,20)
InChIKeyIDGSSJYXYOOUOW-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.81
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-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241817
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 61251743
(2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 78984703
2,2-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide
CID 103515570
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61241466
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 114130254
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylpropanamide;dihydrochloride
CID 120595447
(2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide
CID 33481434
4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]naphthalene-1-carboxamide
CID 112844412
3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119952808
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide
CID 61251452
N-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide
CID 86990920

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide (CID 61241452) is 2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide is CC1CCN(CCNC(=O)C(Cl)c2ccccc2)CC1.
What is the InChIKey of 2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide?
The InChIKey is IDGSSJYXYOOUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-13-7-10-19(11-8-13)12-9-18-16(20)15(17)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide?
2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide has a molecular weight of 294.83 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 61241452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).