1-(2-hydroxyethyl)-3-[4-[(1-methylpiperidin-2-yl)methoxy]anilino]pyrrole-2,5-dione

C19H25N3O4 — CID 168558558

IUPAC1-(2-hydroxyethyl)-3-[4-[(1-methylpiperidin-2-yl)methoxy]anilino]pyrrole-2,5-dione
SMILESCN1CCCCC1COc1ccc(NC2=CC(=O)N(CCO)C2=O)cc1
InChIInChI=1S/C19H25N3O4/c1-21-9-3-2-4-15(21)13-26-16-7-5-14(6-8-16)20-17-12-18(24)22(10-11-23)19(17)25/h5-8,12,15,20,23H,2-4,9-11,13H2,1H3
InChIKeyDKPZFJQADNDYQX-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.21
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-[4-[(1-methylpiperidin-2-yl)methoxy]anilino]pyrrole-2,5-dione

1-(2-hydroxyethyl)-3-[4-[(1-methylpiperidin-2-yl)methoxy]anilino]pyrrole-2,5-dione (PubChem CID 168558558) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[4-[(1-methylpiperidin-2-yl)methoxy]anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[4-[(1-methylpiperidin-2-yl)methoxy]anilino]pyrrole-2,5-dione
PubChem CID168558558
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name1-(2-hydroxyethyl)-3-[4-[(1-methylpiperidin-2-yl)methoxy]anilino]pyrrole-2,5-dione
SMILESCN1CCCCC1COc1ccc(NC2=CC(=O)N(CCO)C2=O)cc1
InChIInChI=1S/C19H25N3O4/c1-21-9-3-2-4-15(21)13-26-16-7-5-14(6-8-16)20-17-12-18(24)22(10-11-23)19(17)25/h5-8,12,15,20,23H,2-4,9-11,13H2,1H3
InChIKeyDKPZFJQADNDYQX-UHFFFAOYSA-N
XLogP1.21
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-3-(4-propan-2-yloxyanilino)pyrrole-2,5-dione
CID 168560112
1-(2-hydroxyethyl)-3-[4-(3-phenylpropoxy)anilino]pyrrole-2,5-dione
CID 168560103
4-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenoxy]benzoic acid
CID 168557232
1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione
CID 168559346
3-[4-(2,6-dimethylmorpholin-4-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168560492
3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline
CID 20738719
N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-4-methylbenzamide
CID 168560087
1-(2-hydroxyethyl)-3-(4-methylsulfonyl-3-piperidin-1-ylanilino)pyrrole-2,5-dione
CID 168557780
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenoxyphenyl)benzamide
CID 168560288
1-(2-hydroxyethyl)-3-[4-(1-phenylethenyl)anilino]pyrrole-2,5-dione
CID 168557531
1-(2-hydroxyethyl)-3-(3-iodo-4-methylanilino)pyrrole-2,5-dione
CID 168556834
N-[2-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]ethyl]acetamide
CID 168557400

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[4-[(1-methylpiperidin-2-yl)methoxy]anilino]pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-[4-[(1-methylpiperidin-2-yl)methoxy]anilino]pyrrole-2,5-dione (CID 168558558) is 1-(2-hydroxyethyl)-3-[4-[(1-methylpiperidin-2-yl)methoxy]anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[4-[(1-methylpiperidin-2-yl)methoxy]anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[4-[(1-methylpiperidin-2-yl)methoxy]anilino]pyrrole-2,5-dione is CN1CCCCC1COc1ccc(NC2=CC(=O)N(CCO)C2=O)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[4-[(1-methylpiperidin-2-yl)methoxy]anilino]pyrrole-2,5-dione?
The InChIKey is DKPZFJQADNDYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-21-9-3-2-4-15(21)13-26-16-7-5-14(6-8-16)20-17-12-18(24)22(10-11-23)19(17)25/h5-8,12,15,20,23H,2-4,9-11,13H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-[4-[(1-methylpiperidin-2-yl)methoxy]anilino]pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-[4-[(1-methylpiperidin-2-yl)methoxy]anilino]pyrrole-2,5-dione has a molecular weight of 359.43 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[4-[(1-methylpiperidin-2-yl)methoxy]anilino]pyrrole-2,5-dione is sourced from PubChem (CID 168558558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).