ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate

C21H26N4O3 — CID 109191756

IUPACethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(C(=O)NCCc3ccccc3)nc2)CC1
InChIInChI=1S/C21H26N4O3/c1-2-28-21(27)25-14-12-24(13-15-25)18-8-9-19(23-16-18)20(26)22-11-10-17-6-4-3-5-7-17/h3-9,16H,2,10-15H2,1H3,(H,22,26)
InChIKeyUKBHNQXDLSCTJG-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.33
Rot. Bonds6

About ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate

ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate (PubChem CID 109191756) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
PubChem CID109191756
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Nameethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(C(=O)NCCc3ccccc3)nc2)CC1
InChIInChI=1S/C21H26N4O3/c1-2-28-21(27)25-14-12-24(13-15-25)18-8-9-19(23-16-18)20(26)22-11-10-17-6-4-3-5-7-17/h3-9,16H,2,10-15H2,1H3,(H,22,26)
InChIKeyUKBHNQXDLSCTJG-UHFFFAOYSA-N
XLogP2.33
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[6-(2-phenylethylcarbamoyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109350551
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 109194209
5-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109187365
5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109186778
5-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109187084
ethyl 4-[5-(4-acetylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109187379
ethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109184969
N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182753
5-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183834
5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide
CID 109180700
ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate
CID 9431113

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate (CID 109191756) is ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(C(=O)NCCc3ccccc3)nc2)CC1.
What is the InChIKey of ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate?
The InChIKey is UKBHNQXDLSCTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-28-21(27)25-14-12-24(13-15-25)18-8-9-19(23-16-18)20(26)22-11-10-17-6-4-3-5-7-17/h3-9,16H,2,10-15H2,1H3,(H,22,26).
What are the key properties of ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 109191756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).