N-[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide

C19H21Cl2N3O4 — CID 90330494

IUPACN-[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)=C(O)C1=O
InChIInChI=1S/C19H21Cl2N3O4/c1-23-10-13(16(25)19(23)28)17(26)22-9-11-4-6-24(7-5-11)18(27)12-2-3-14(20)15(21)8-12/h2-3,8,11,25H,4-7,9-10H2,1H3,(H,22,26)
InChIKeyXHFYDOOANISKRL-UHFFFAOYSA-N
MW426.30 g/mol
LogP2.25
Rot. Bonds4

About N-[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide

N-[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 90330494) has the molecular formula C19H21Cl2N3O4 and a molecular weight of 426.30 g/mol. Its IUPAC name is N-[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID90330494
Molecular FormulaC19H21Cl2N3O4
Molecular Weight426.30 g/mol
Exact Mass425.09
IUPAC NameN-[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)=C(O)C1=O
InChIInChI=1S/C19H21Cl2N3O4/c1-23-10-13(16(25)19(23)28)17(26)22-9-11-4-6-24(7-5-11)18(27)12-2-3-14(20)15(21)8-12/h2-3,8,11,25H,4-7,9-10H2,1H3,(H,22,26)
InChIKeyXHFYDOOANISKRL-UHFFFAOYSA-N
XLogP2.25
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.30
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 750384
1-[4-[(4-Chlorobenzoyl)amino]butanoyl]piperidine-3-carboxamide
CID 16323002
4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 17407936
3,4-dichloro-N-(2-hydroxyethyl)benzamide
CID 2249234
4-[(3,4-Dichloro-phenyl)-piperidin-4-ylidene-methyl]-N,N-diethyl-benzamide
CID 11796211
N-[4-[4-(2-Acetylamino-ethyl)-piperidin-1-yl]-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide
CID 22405753
4-Hydroxy-1-methyl-5-oxo-2,5-dihydro-1h-pyrrole-3-carboxylic acid [3-(3,4-dichlorophenyl)-propyl]-amide
CID 54704622
N-(4-(3,4-dichlorophenyl)butan-2-yl)-1-ethyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide
CID 86728184
N-[3-(3,4-dichlorophenyl)propyl]-2-(2,2-dimethylpropyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 89489281
2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 89489291
2-(2-chlorophenyl)-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 89489304
1-benzyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89489363

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (CID 90330494) is N-[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is CN1CC(C(=O)NCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)=C(O)C1=O.
What is the InChIKey of N-[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is XHFYDOOANISKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O4/c1-23-10-13(16(25)19(23)28)17(26)22-9-11-4-6-24(7-5-11)18(27)12-2-3-14(20)15(21)8-12/h2-3,8,11,25H,4-7,9-10H2,1H3,(H,22,26).
What are the key properties of N-[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
N-[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 426.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90330494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).