1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide

C16H19Cl2N3O2 — CID 119386103

IUPAC1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCNCC1)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C16H19Cl2N3O2/c17-13-2-1-11(9-14(13)18)21-8-5-12(16(21)23)15(22)20-10-3-6-19-7-4-10/h1-2,9-10,12,19H,3-8H2,(H,20,22)
InChIKeyRNMMCBCVPVHSJT-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.21
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide

1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide (PubChem CID 119386103) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide
PubChem CID119386103
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCNCC1)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C16H19Cl2N3O2/c17-13-2-1-11(9-14(13)18)21-8-5-12(16(21)23)15(22)20-10-3-6-19-7-4-10/h1-2,9-10,12,19H,3-8H2,(H,20,22)
InChIKeyRNMMCBCVPVHSJT-UHFFFAOYSA-N
XLogP2.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-N-methyl-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119441403
1-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)-2-oxopyrrolidine-3-carboxamide
CID 110902862
1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide
CID 111462855
(3S)-1-(4-chlorophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
CID 94079940
1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 86938913
N-(2-butoxyethyl)-1-(3,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 86853322
N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 167917066
4-[[1-(3,4-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229691
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-(3,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 86902258
(3S)-1-(3-chloro-4-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330510
1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride
CID 119387434
(3S)-N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 93059092

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide (CID 119386103) is 1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide is O=C(NC1CCNCC1)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide?
The InChIKey is RNMMCBCVPVHSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c17-13-2-1-11(9-14(13)18)21-8-5-12(16(21)23)15(22)20-10-3-6-19-7-4-10/h1-2,9-10,12,19H,3-8H2,(H,20,22).
What are the key properties of 1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide?
1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide has a molecular weight of 356.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 119386103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).