2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide

C16H21ClN2O2 — CID 94667978

IUPAC2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C16H21ClN2O2/c1-12(16(21)19-9-3-2-4-10-19)18-15(20)11-13-5-7-14(17)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyUWXBEDAXTPMEHA-GFCCVEGCSA-N
MW308.81 g/mol
LogP2.40
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide

2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide (PubChem CID 94667978) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
PubChem CID94667978
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C16H21ClN2O2/c1-12(16(21)19-9-3-2-4-10-19)18-15(20)11-13-5-7-14(17)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyUWXBEDAXTPMEHA-GFCCVEGCSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide
CID 107034590
1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 110347605
5-[(4-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)furan-2-carboxamide
CID 110280405
2-(methylamino)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 60945403
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078
[1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 112764706
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 9036546
2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115576764
2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide;ethane;2-phenylacetamide
CID 143447744
4-[2-(4-chlorophenyl)acetyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811573
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-phenoxyacetamide
CID 47101035

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide (CID 94667978) is 2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide is C[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
The InChIKey is UWXBEDAXTPMEHA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-12(16(21)19-9-3-2-4-10-19)18-15(20)11-13-5-7-14(17)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,18,20)/t12-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide has a molecular weight of 308.81 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide is sourced from PubChem (CID 94667978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).