ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate

C20H24N4O3 — CID 109231667

IUPACethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cncc(C(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C20H24N4O3/c1-2-27-20(26)24-10-8-23(9-11-24)18-12-17(14-21-15-18)19(25)22-13-16-6-4-3-5-7-16/h3-7,12,14-15H,2,8-11,13H2,1H3,(H,22,25)
InChIKeyMLHVCIOGOWKFMH-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.29
Rot. Bonds5

About ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate

ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate (PubChem CID 109231667) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
PubChem CID109231667
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Nameethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cncc(C(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C20H24N4O3/c1-2-27-20(26)24-10-8-23(9-11-24)18-12-17(14-21-15-18)19(25)22-13-16-6-4-3-5-7-16/h3-7,12,14-15H,2,8-11,13H2,1H3,(H,22,25)
InChIKeyMLHVCIOGOWKFMH-UHFFFAOYSA-N
XLogP2.29
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109225171
ethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 109238366
5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109231191
5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232264
N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226461
5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide
CID 109104756
5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109230257
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230247
ethyl 4-[[5-[(3-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109232246
5-(4-formylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109230884
benzyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate
CID 133397558
ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109230451

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate (CID 109231667) is ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cncc(C(=O)NCc3ccccc3)c2)CC1.
What is the InChIKey of ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate?
The InChIKey is MLHVCIOGOWKFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-2-27-20(26)24-10-8-23(9-11-24)18-12-17(14-21-15-18)19(25)22-13-16-6-4-3-5-7-16/h3-7,12,14-15H,2,8-11,13H2,1H3,(H,22,25).
What are the key properties of ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate has a molecular weight of 368.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 109231667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).