3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide

C19H25N3O3 — CID 51095858

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H25N3O3/c23-17(10-13-22-18(24)8-9-19(22)25)20-14-15-4-6-16(7-5-15)21-11-2-1-3-12-21/h4-7H,1-3,8-14H2,(H,20,23)
InChIKeyUOBNSJRVEGQDHH-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.83
Rot. Bonds6

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide (PubChem CID 51095858) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
PubChem CID51095858
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H25N3O3/c23-17(10-13-22-18(24)8-9-19(22)25)20-14-15-4-6-16(7-5-15)21-11-2-1-3-12-21/h4-7H,1-3,8-14H2,(H,20,23)
InChIKeyUOBNSJRVEGQDHH-UHFFFAOYSA-N
XLogP1.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 46461564
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 134028900
3-(azocan-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 91797431
3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099820
2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110648315
3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 35619171
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9036242
trans-(1S,2S)-2-methyl-N-[3-oxo-3-[(4-piperidin-1-ylphenyl)methylamino]propyl]cyclopropane-1-carboxamide
CID 95335504
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 512844
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 8589612
3-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31642687
N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 35619356

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide (CID 51095858) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide is O=C(CCN1C(=O)CCC1=O)NCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
The InChIKey is UOBNSJRVEGQDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-17(10-13-22-18(24)8-9-19(22)25)20-14-15-4-6-16(7-5-15)21-11-2-1-3-12-21/h4-7H,1-3,8-14H2,(H,20,23).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 51095858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).