3-amino-4-[3-(4-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C25H33N5O2 — CID 89389650

IUPAC3-amino-4-[3-(4-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCc1ccc(C2CN(c3ccc(C(=O)NCCCN4CCCC4=O)cc3N)CCN2)cc1
InChIInChI=1S/C25H33N5O2/c1-18-5-7-19(8-6-18)22-17-30(15-12-27-22)23-10-9-20(16-21(23)26)25(32)28-11-3-14-29-13-2-4-24(29)31/h5-10,16,22,27H,2-4,11-15,17,26H2,1H3,(H,28,32)
InChIKeyPCXJGLOHVQNTHH-UHFFFAOYSA-N
MW435.57 g/mol
LogP2.47
Rot. Bonds7

About 3-amino-4-[3-(4-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

3-amino-4-[3-(4-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 89389650) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 3-amino-4-[3-(4-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[3-(4-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID89389650
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name3-amino-4-[3-(4-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCc1ccc(C2CN(c3ccc(C(=O)NCCCN4CCCC4=O)cc3N)CCN2)cc1
InChIInChI=1S/C25H33N5O2/c1-18-5-7-19(8-6-18)22-17-30(15-12-27-22)23-10-9-20(16-21(23)26)25(32)28-11-3-14-29-13-2-4-24(29)31/h5-10,16,22,27H,2-4,11-15,17,26H2,1H3,(H,28,32)
InChIKeyPCXJGLOHVQNTHH-UHFFFAOYSA-N
XLogP2.47
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[2-amino-4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]piperazine-1-carboxylate
CID 89394489
3-[(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-piperazin-1-ylbenzamide
CID 46333538
3-amino-4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 89388512
4-[(4-methylphenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876278
4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 86983246
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
7-hydroxy-1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide
CID 110201040
4-(4-methylpiperazin-1-yl)-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 71234571
4-[4-(2-methylphenyl)piperidin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide
CID 71224431
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 103734648
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[3-(4-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 3-amino-4-[3-(4-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 89389650) is 3-amino-4-[3-(4-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-amino-4-[3-(4-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 3-amino-4-[3-(4-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is Cc1ccc(C2CN(c3ccc(C(=O)NCCCN4CCCC4=O)cc3N)CCN2)cc1.
What is the InChIKey of 3-amino-4-[3-(4-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is PCXJGLOHVQNTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-18-5-7-19(8-6-18)22-17-30(15-12-27-22)23-10-9-20(16-21(23)26)25(32)28-11-3-14-29-13-2-4-24(29)31/h5-10,16,22,27H,2-4,11-15,17,26H2,1H3,(H,28,32).
What are the key properties of 3-amino-4-[3-(4-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
3-amino-4-[3-(4-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 435.57 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[3-(4-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 89389650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).