1-benzyl-3-chloro-4-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione

C24H24ClN3O3 — CID 1408092

IUPAC1-benzyl-3-chloro-4-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione
SMILESO=C(c1ccc(CNC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1)N1CCCCC1
InChIInChI=1S/C24H24ClN3O3/c25-20-21(24(31)28(23(20)30)16-18-7-3-1-4-8-18)26-15-17-9-11-19(12-10-17)22(29)27-13-5-2-6-14-27/h1,3-4,7-12,26H,2,5-6,13-16H2
InChIKeyPACZLOWFFSJPKA-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.42
Rot. Bonds6

About 1-benzyl-3-chloro-4-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione

1-benzyl-3-chloro-4-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione (PubChem CID 1408092) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 1-benzyl-3-chloro-4-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-chloro-4-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione
PubChem CID1408092
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name1-benzyl-3-chloro-4-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione
SMILESO=C(c1ccc(CNC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1)N1CCCCC1
InChIInChI=1S/C24H24ClN3O3/c25-20-21(24(31)28(23(20)30)16-18-7-3-1-4-8-18)26-15-17-9-11-19(12-10-17)22(29)27-13-5-2-6-14-27/h1,3-4,7-12,26H,2,5-6,13-16H2
InChIKeyPACZLOWFFSJPKA-UHFFFAOYSA-N
XLogP3.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.42
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

3-chloro-1-[(4-chlorophenyl)methyl]-4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methylamino]pyrrole-2,5-dione
CID 1408248
4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-phenylbenzamide
CID 1408099
1-benzyl-3-chloro-4-[(4-fluorophenyl)methylamino]pyrrole-2,5-dione
CID 716965
1-benzyl-3-chloro-4-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione
CID 1194977
4-[[[4-[[[4-chloro-1-[(2-chlorophenyl)methyl]-2,5-dioxopyrrol-3-yl]amino]methyl]benzoyl]amino]methyl]benzoic acid
CID 1408319
1-benzyl-5-phenyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 55733051
2-[[4-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]methyl]isoindole-1,3-dione
CID 32912923
1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 24540069
1-benzyl-2-methyl-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 110953717
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 167938471
N-(4-acetylphenyl)-4-[[[4-chloro-1-[(2-chlorophenyl)methyl]-2,5-dioxopyrrol-3-yl]amino]methyl]benzamide
CID 1408310

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-chloro-4-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-chloro-4-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione (CID 1408092) is 1-benzyl-3-chloro-4-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-chloro-4-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-chloro-4-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione is O=C(c1ccc(CNC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1)N1CCCCC1.
What is the InChIKey of 1-benzyl-3-chloro-4-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione?
The InChIKey is PACZLOWFFSJPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c25-20-21(24(31)28(23(20)30)16-18-7-3-1-4-8-18)26-15-17-9-11-19(12-10-17)22(29)27-13-5-2-6-14-27/h1,3-4,7-12,26H,2,5-6,13-16H2.
What are the key properties of 1-benzyl-3-chloro-4-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione?
1-benzyl-3-chloro-4-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione has a molecular weight of 437.93 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-chloro-4-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione is sourced from PubChem (CID 1408092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).