ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate

C20H24N4O4 — CID 113014232

IUPACethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cn2)CC1
InChIInChI=1S/C20H24N4O4/c1-3-28-20(26)24-12-10-23(11-13-24)18-9-6-16(14-21-18)22-19(25)15-4-7-17(27-2)8-5-15/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)
InChIKeyWPOUGTQVSNRTJS-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.62
Rot. Bonds5

About ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate

ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 113014232) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
PubChem CID113014232
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Nameethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cn2)CC1
InChIInChI=1S/C20H24N4O4/c1-3-28-20(26)24-12-10-23(11-13-24)18-9-6-16(14-21-18)22-19(25)15-4-7-17(27-2)8-5-15/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)
InChIKeyWPOUGTQVSNRTJS-UHFFFAOYSA-N
XLogP2.62
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[5-[(3,4-dimethylbenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014233
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 109286350
ethyl 4-[[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 113014186
ethyl 4-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014225
ethyl 4-[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109174338
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 170855567
ethyl 4-[5-(3-methylbutanoylamino)-2-pyridinyl]piperazine-1-carboxylate
CID 113014216
ethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate
CID 46084352
4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850230
ethyl 6-[4-[(4-methoxyphenyl)carbamoyl]-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 51128296

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate (CID 113014232) is ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cn2)CC1.
What is the InChIKey of ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is WPOUGTQVSNRTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-3-28-20(26)24-12-10-23(11-13-24)18-9-6-16(14-21-18)22-19(25)15-4-7-17(27-2)8-5-15/h4-9,14H,3,10-13H2,1-2H3,(H,22,25).
What are the key properties of ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 113014232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).