2-methoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]acetamide

C26H32N4O4 — CID 42672098

IUPAC2-methoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c(C(=O)N2CCCC2)c1
InChIInChI=1S/C26H32N4O4/c1-19-5-7-20(8-6-19)25(32)30-15-13-28(14-16-30)23-10-9-21(27-24(31)18-34-2)17-22(23)26(33)29-11-3-4-12-29/h5-10,17H,3-4,11-16,18H2,1-2H3,(H,27,31)
InChIKeyPFCYWSOQWSOEMR-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.78
Rot. Bonds6

About 2-methoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-methoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 42672098) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-methoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID42672098
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name2-methoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c(C(=O)N2CCCC2)c1
InChIInChI=1S/C26H32N4O4/c1-19-5-7-20(8-6-19)25(32)30-15-13-28(14-16-30)23-10-9-21(27-24(31)18-34-2)17-22(23)26(33)29-11-3-4-12-29/h5-10,17H,3-4,11-16,18H2,1-2H3,(H,27,31)
InChIKeyPFCYWSOQWSOEMR-UHFFFAOYSA-N
XLogP2.78
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[4-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42678519
4-[4-[(4-chlorobenzoyl)amino]-2-(piperidine-1-carbonyl)phenyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 42678890
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methylphenoxy)acetamide
CID 17111823
2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]-5-[(2-methoxyacetyl)amino]benzamide
CID 42678242
ethyl 4-[[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]carbamoylamino]benzoate
CID 1065398
4-[4-(cyclopentanecarbonylamino)-2-(piperidine-1-carbonyl)phenyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 42678889
N-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 17199024
ethyl 4-[[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]benzoate
CID 1065179
N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide
CID 47296916
N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide
CID 1054058
N-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]-2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]benzamide
CID 42678199
2-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 6468250

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 42672098) is 2-methoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]acetamide is COCC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c(C(=O)N2CCCC2)c1.
What is the InChIKey of 2-methoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is PFCYWSOQWSOEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-19-5-7-20(8-6-19)25(32)30-15-13-28(14-16-30)23-10-9-21(27-24(31)18-34-2)17-22(23)26(33)29-11-3-4-12-29/h5-10,17H,3-4,11-16,18H2,1-2H3,(H,27,31).
What are the key properties of 2-methoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-methoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 464.57 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 42672098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).