1-[(3S)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide

C16H17Cl2N3O3 — CID 27805301

IUPAC1-[(3S)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)CC1
InChIInChI=1S/C16H17Cl2N3O3/c17-10-1-2-12(11(18)7-10)21-14(22)8-13(16(21)24)20-5-3-9(4-6-20)15(19)23/h1-2,7,9,13H,3-6,8H2,(H2,19,23)/t13-/m0/s1
InChIKeyNONAFFPJNGHMCF-ZDUSSCGKSA-N
MW370.24 g/mol
LogP1.82
Rot. Bonds3

About 1-[(3S)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide

1-[(3S)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide (PubChem CID 27805301) has the molecular formula C16H17Cl2N3O3 and a molecular weight of 370.24 g/mol. Its IUPAC name is 1-[(3S)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3S)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
PubChem CID27805301
Molecular FormulaC16H17Cl2N3O3
Molecular Weight370.24 g/mol
Exact Mass369.06
IUPAC Name1-[(3S)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)CC1
InChIInChI=1S/C16H17Cl2N3O3/c17-10-1-2-12(11(18)7-10)21-14(22)8-13(16(21)24)20-5-3-9(4-6-20)15(19)23/h1-2,7,9,13H,3-6,8H2,(H2,19,23)/t13-/m0/s1
InChIKeyNONAFFPJNGHMCF-ZDUSSCGKSA-N
XLogP1.82
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 17121345
1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 27805299
(3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 682977
ethyl (3S)-1-[(3R)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate
CID 27522214
(3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione
CID 29101420
1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 683089
(3R)-3-(4-benzylpiperazin-1-yl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235132
1-[(3R)-1-(3-fluoro-4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 699072
1-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 2059465
1-[(3R)-1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 795385
1-[(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 41281887
1-[1-[4-[chloro(difluoro)methoxy]phenyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 3901669

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3S)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide (CID 27805301) is 1-[(3S)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3S)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3S)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)CC1.
What is the InChIKey of 1-[(3S)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
The InChIKey is NONAFFPJNGHMCF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3/c17-10-1-2-12(11(18)7-10)21-14(22)8-13(16(21)24)20-5-3-9(4-6-20)15(19)23/h1-2,7,9,13H,3-6,8H2,(H2,19,23)/t13-/m0/s1.
What are the key properties of 1-[(3S)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
1-[(3S)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide has a molecular weight of 370.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 27805301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).