N-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide

C16H20ClN3O4 — CID 143538325

IUPACN-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(CN1CC(C(=O)Nc2cccc(Cl)c2)CCC1=O)NCCO
InChIInChI=1S/C16H20ClN3O4/c17-12-2-1-3-13(8-12)19-16(24)11-4-5-15(23)20(9-11)10-14(22)18-6-7-21/h1-3,8,11,21H,4-7,9-10H2,(H,18,22)(H,19,24)
InChIKeyQQNBFEUPDHLREA-UHFFFAOYSA-N
MW353.81 g/mol
LogP0.63
Rot. Bonds6

About N-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide

N-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 143538325) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide
PubChem CID143538325
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC NameN-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(CN1CC(C(=O)Nc2cccc(Cl)c2)CCC1=O)NCCO
InChIInChI=1S/C16H20ClN3O4/c17-12-2-1-3-13(8-12)19-16(24)11-4-5-15(23)20(9-11)10-14(22)18-6-7-21/h1-3,8,11,21H,4-7,9-10H2,(H,18,22)(H,19,24)
InChIKeyQQNBFEUPDHLREA-UHFFFAOYSA-N
XLogP0.63
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid
CID 143538428
N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 143538535
(3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide
CID 163686162
N-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide
CID 66666944
4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144371
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
(3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
CID 26330034
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
(3R)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
CID 51903346
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide (CID 143538325) is N-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide is O=C(CN1CC(C(=O)Nc2cccc(Cl)c2)CCC1=O)NCCO.
What is the InChIKey of N-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is QQNBFEUPDHLREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4/c17-12-2-1-3-13(8-12)19-16(24)11-4-5-15(23)20(9-11)10-14(22)18-6-7-21/h1-3,8,11,21H,4-7,9-10H2,(H,18,22)(H,19,24).
What are the key properties of N-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide?
N-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 143538325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).