4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide

C26H33N5O4 — CID 71224433

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide
SMILESCOc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2C(N)=O)CC1
InChIInChI=1S/C26H33N5O4/c1-35-23-7-3-2-6-22(23)30-16-14-29(15-17-30)21-10-9-19(18-20(21)25(27)33)26(34)28-11-5-13-31-12-4-8-24(31)32/h2-3,6-7,9-10,18H,4-5,8,11-17H2,1H3,(H2,27,33)(H,28,34)
InChIKeyXEYOLIMCWHTOMV-UHFFFAOYSA-N
MW479.58 g/mol
LogP1.86
Rot. Bonds9

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide

4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide (PubChem CID 71224433) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide
PubChem CID71224433
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide
SMILESCOc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2C(N)=O)CC1
InChIInChI=1S/C26H33N5O4/c1-35-23-7-3-2-6-22(23)30-16-14-29(15-17-30)21-10-9-19(18-20(21)25(27)33)26(34)28-11-5-13-31-12-4-8-24(31)32/h2-3,6-7,9-10,18H,4-5,8,11-17H2,1H3,(H2,27,33)(H,28,34)
InChIKeyXEYOLIMCWHTOMV-UHFFFAOYSA-N
XLogP1.86
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-methylphenyl)piperidin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide
CID 71224431
3-[(2,4-dimethoxybenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 71233946
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802433
(Z)-2-cyano-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108815566
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
tert-butyl 4-[2-amino-4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]piperazine-1-carboxylate
CID 89394489
4-bromo-3,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 36839856
5-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 71234024
3-[(2-methoxy-2-phenylacetyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 71234506
4-(4-methylpiperazin-1-yl)-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 71234571
4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 71224768

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide (CID 71224433) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide is COc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2C(N)=O)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide?
The InChIKey is XEYOLIMCWHTOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-35-23-7-3-2-6-22(23)30-16-14-29(15-17-30)21-10-9-19(18-20(21)25(27)33)26(34)28-11-5-13-31-12-4-8-24(31)32/h2-3,6-7,9-10,18H,4-5,8,11-17H2,1H3,(H2,27,33)(H,28,34).
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide has a molecular weight of 479.58 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 71224433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).