N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide

C13H14Cl2N2O3 — CID 124850811

IUPACN-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide
SMILESO=C(CO)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C13H14Cl2N2O3/c14-8-3-4-11(9(15)6-8)17-5-1-2-10(13(17)20)16-12(19)7-18/h3-4,6,10,18H,1-2,5,7H2,(H,16,19)/t10-/m0/s1
InChIKeyRCTMDKWRVRJWBX-JTQLQIEISA-N
MW317.17 g/mol
LogP1.60
Rot. Bonds3

About N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide

N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide (PubChem CID 124850811) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide
PubChem CID124850811
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC NameN-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide
SMILESO=C(CO)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C13H14Cl2N2O3/c14-8-3-4-11(9(15)6-8)17-5-1-2-10(13(17)20)16-12(19)7-18/h3-4,6,10,18H,1-2,5,7H2,(H,16,19)/t10-/m0/s1
InChIKeyRCTMDKWRVRJWBX-JTQLQIEISA-N
XLogP1.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]prop-2-enamide
CID 166412320
N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide
CID 164637890
1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one
CID 107639769
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
CID 71994500
(3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 93331026
2-cyano-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]acetamide
CID 86798243
(3S)-1-(2,4-dichlorophenyl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 93330668
(3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 93330664
1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide
CID 119334574
2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120551295
3-chloro-4-[3-(cyclopropylamino)-2-oxopiperidin-1-yl]benzonitrile
CID 107810414
(3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one
CID 93322023

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide?
The IUPAC name of N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide (CID 124850811) is N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide is O=C(CO)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide?
The InChIKey is RCTMDKWRVRJWBX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c14-8-3-4-11(9(15)6-8)17-5-1-2-10(13(17)20)16-12(19)7-18/h3-4,6,10,18H,1-2,5,7H2,(H,16,19)/t10-/m0/s1.
What are the key properties of N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide?
N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide has a molecular weight of 317.17 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide is sourced from PubChem (CID 124850811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).