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

C27H34N4O3 — CID 71224431

IUPAC4-[4-(2-methylphenyl)piperidin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide
SMILESCc1ccccc1C1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2C(N)=O)CC1
InChIInChI=1S/C27H34N4O3/c1-19-6-2-3-7-22(19)20-11-16-30(17-12-20)24-10-9-21(18-23(24)26(28)33)27(34)29-13-5-15-31-14-4-8-25(31)32/h2-3,6-7,9-10,18,20H,4-5,8,11-17H2,1H3,(H2,28,33)(H,29,34)
InChIKeyZTDAZBFKSMSXBP-UHFFFAOYSA-N
MW462.59 g/mol
LogP3.22
Rot. Bonds8

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

4-[4-(2-methylphenyl)piperidin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide (PubChem CID 71224431) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 4-[4-(2-methylphenyl)piperidin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4-[4-(2-methylphenyl)piperidin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide
PubChem CID71224431
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name4-[4-(2-methylphenyl)piperidin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide
SMILESCc1ccccc1C1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2C(N)=O)CC1
InChIInChI=1S/C27H34N4O3/c1-19-6-2-3-7-22(19)20-11-16-30(17-12-20)24-10-9-21(18-23(24)26(28)33)27(34)29-13-5-15-31-14-4-8-25(31)32/h2-3,6-7,9-10,18,20H,4-5,8,11-17H2,1H3,(H2,28,33)(H,29,34)
InChIKeyZTDAZBFKSMSXBP-UHFFFAOYSA-N
XLogP3.22
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(2-methylphenyl)piperidin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 90676909
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide
CID 71224433
5-ethyl-N-[2-[1-(2-methylphenyl)piperidin-4-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 144513818
4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 71224768
7-hydroxy-1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide
CID 110201040
tert-butyl 4-[2-amino-4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]piperazine-1-carboxylate
CID 89394489
N-methyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide
CID 90656078
3-[(2,4-dimethoxybenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 71233946
2-methyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 71233957
2-methyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 71234074
3-[(2-methoxy-2-phenylacetyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 71234506
N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 130372707

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylphenyl)piperidin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide?
The IUPAC name of 4-[4-(2-methylphenyl)piperidin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide (CID 71224431) is 4-[4-(2-methylphenyl)piperidin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 4-[4-(2-methylphenyl)piperidin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 4-[4-(2-methylphenyl)piperidin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide is Cc1ccccc1C1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2C(N)=O)CC1.
What is the InChIKey of 4-[4-(2-methylphenyl)piperidin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide?
The InChIKey is ZTDAZBFKSMSXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-19-6-2-3-7-22(19)20-11-16-30(17-12-20)24-10-9-21(18-23(24)26(28)33)27(34)29-13-5-15-31-14-4-8-25(31)32/h2-3,6-7,9-10,18,20H,4-5,8,11-17H2,1H3,(H2,28,33)(H,29,34).
What are the key properties of 4-[4-(2-methylphenyl)piperidin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide?
4-[4-(2-methylphenyl)piperidin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide has a molecular weight of 462.59 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylphenyl)piperidin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 71224431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).