ethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate

C24H30N4O4 — CID 46084352

IUPACethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate
SMILESCCOC(=O)CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cn2)CC1
InChIInChI=1S/C24H30N4O4/c1-3-32-23(30)6-4-5-22(29)28-15-13-27(14-16-28)21-12-11-20(17-25-21)26-24(31)19-9-7-18(2)8-10-19/h7-12,17H,3-6,13-16H2,1-2H3,(H,26,31)
InChIKeySDINABQDLPZVIQ-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.02
Rot. Bonds8

About ethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate

ethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate (PubChem CID 46084352) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is ethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate
PubChem CID46084352
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Nameethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate
SMILESCCOC(=O)CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cn2)CC1
InChIInChI=1S/C24H30N4O4/c1-3-32-23(30)6-4-5-22(29)28-15-13-27(14-16-28)21-12-11-20(17-25-21)26-24(31)19-9-7-18(2)8-10-19/h7-12,17H,3-6,13-16H2,1-2H3,(H,26,31)
InChIKeySDINABQDLPZVIQ-UHFFFAOYSA-N
XLogP3.02
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate with MolForge

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Related Compounds

ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014232
ethyl 4-[5-[(3,4-dimethylbenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014233
ethyl 4-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014225
4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 42850043
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041984
N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041978
ethyl 3-[[4-[5-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carbonyl]amino]propanoate
CID 143994466
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041971
4-chloro-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850042
N-[6-(4-pentanoylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42849956

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate?
The IUPAC name of ethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate (CID 46084352) is ethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate.
What is the SMILES notation for ethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate?
The canonical SMILES for ethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate is CCOC(=O)CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cn2)CC1.
What is the InChIKey of ethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate?
The InChIKey is SDINABQDLPZVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-3-32-23(30)6-4-5-22(29)28-15-13-27(14-16-28)21-12-11-20(17-25-21)26-24(31)19-9-7-18(2)8-10-19/h7-12,17H,3-6,13-16H2,1-2H3,(H,26,31).
What are the key properties of ethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate?
ethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate has a molecular weight of 438.53 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate is sourced from PubChem (CID 46084352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).