ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate

C19H22N4O3 — CID 109215966

IUPACethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccnc(C(=O)Nc3ccccc3)c2)CC1
InChIInChI=1S/C19H22N4O3/c1-2-26-19(25)23-12-10-22(11-13-23)16-8-9-20-17(14-16)18(24)21-15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H,21,24)
InChIKeyRQYBPCLJVUQRQV-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.61
Rot. Bonds4

About ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate

ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate (PubChem CID 109215966) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate
PubChem CID109215966
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Nameethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccnc(C(=O)Nc3ccccc3)c2)CC1
InChIInChI=1S/C19H22N4O3/c1-2-26-19(25)23-12-10-22(11-13-23)16-8-9-20-17(14-16)18(24)21-15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H,21,24)
InChIKeyRQYBPCLJVUQRQV-UHFFFAOYSA-N
XLogP2.61
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215237
N-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215246
ethyl 4-[2-[(4-fluorophenyl)methylcarbamoyl]-4-pyridinyl]piperazine-1-carboxylate
CID 109211400
ethyl 4-(2-fluoro-4-pyridinyl)piperazine-1-carboxylate
CID 114011876
ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109098907
ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 109194209
4-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109209220
N-(4-ethoxyphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204671
4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109209206
ethyl 4-[4-[(3-fluorophenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 109310266
N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208668
ethyl 4-[6-[(4-chlorophenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 109352825

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate (CID 109215966) is ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccnc(C(=O)Nc3ccccc3)c2)CC1.
What is the InChIKey of ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate?
The InChIKey is RQYBPCLJVUQRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-2-26-19(25)23-12-10-22(11-13-23)16-8-9-20-17(14-16)18(24)21-15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H,21,24).
What are the key properties of ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 109215966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).