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

C20H23FN4O3 — CID 109211400

IUPACethyl 4-[2-[(4-fluorophenyl)methylcarbamoyl]-4-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccnc(C(=O)NCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C20H23FN4O3/c1-2-28-20(27)25-11-9-24(10-12-25)17-7-8-22-18(13-17)19(26)23-14-15-3-5-16(21)6-4-15/h3-8,13H,2,9-12,14H2,1H3,(H,23,26)
InChIKeyZQDJXWHWHCVALQ-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.43
Rot. Bonds5

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

ethyl 4-[2-[(4-fluorophenyl)methylcarbamoyl]-4-pyridinyl]piperazine-1-carboxylate (PubChem CID 109211400) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is ethyl 4-[2-[(4-fluorophenyl)methylcarbamoyl]-4-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(4-fluorophenyl)methylcarbamoyl]-4-pyridinyl]piperazine-1-carboxylate
PubChem CID109211400
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Nameethyl 4-[2-[(4-fluorophenyl)methylcarbamoyl]-4-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccnc(C(=O)NCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C20H23FN4O3/c1-2-28-20(27)25-11-9-24(10-12-25)17-7-8-22-18(13-17)19(26)23-14-15-3-5-16(21)6-4-15/h3-8,13H,2,9-12,14H2,1H3,(H,23,26)
InChIKeyZQDJXWHWHCVALQ-UHFFFAOYSA-N
XLogP2.43
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394
ethyl 4-(2-fluoro-4-pyridinyl)piperazine-1-carboxylate
CID 114011876
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208236
ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate
CID 109215966
4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109084860
N-[(4-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084148
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
ethyl 4-[2-[(4-fluorophenyl)methylamino]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530680
N-[(4-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62249040
N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109207121
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213263
N-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208878

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(4-fluorophenyl)methylcarbamoyl]-4-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(4-fluorophenyl)methylcarbamoyl]-4-pyridinyl]piperazine-1-carboxylate (CID 109211400) is ethyl 4-[2-[(4-fluorophenyl)methylcarbamoyl]-4-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(4-fluorophenyl)methylcarbamoyl]-4-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(4-fluorophenyl)methylcarbamoyl]-4-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccnc(C(=O)NCc3ccc(F)cc3)c2)CC1.
What is the InChIKey of ethyl 4-[2-[(4-fluorophenyl)methylcarbamoyl]-4-pyridinyl]piperazine-1-carboxylate?
The InChIKey is ZQDJXWHWHCVALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-2-28-20(27)25-11-9-24(10-12-25)17-7-8-22-18(13-17)19(26)23-14-15-3-5-16(21)6-4-15/h3-8,13H,2,9-12,14H2,1H3,(H,23,26).
What are the key properties of ethyl 4-[2-[(4-fluorophenyl)methylcarbamoyl]-4-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[2-[(4-fluorophenyl)methylcarbamoyl]-4-pyridinyl]piperazine-1-carboxylate has a molecular weight of 386.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(4-fluorophenyl)methylcarbamoyl]-4-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 109211400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).