ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate

C18H21FN4O2 — CID 113014423

IUPACethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)nc1
InChIInChI=1S/C18H21FN4O2/c1-2-25-18(24)21-14-7-8-17(20-13-14)23-11-9-22(10-12-23)16-6-4-3-5-15(16)19/h3-8,13H,2,9-12H2,1H3,(H,21,24)
InChIKeyUXRQSEZTEXQFHG-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.12
Rot. Bonds4

About ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate

ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate (PubChem CID 113014423) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
PubChem CID113014423
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Nameethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)nc1
InChIInChI=1S/C18H21FN4O2/c1-2-25-18(24)21-14-7-8-17(20-13-14)23-11-9-22(10-12-23)16-6-4-3-5-15(16)19/h3-8,13H,2,9-12H2,1H3,(H,21,24)
InChIKeyUXRQSEZTEXQFHG-UHFFFAOYSA-N
XLogP3.12
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583
2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014414
ethyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate
CID 11500270
3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014415
ethyl N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]carbamate
CID 113015658
1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide
CID 126792874
6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine
CID 9161640
2-methylpropyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate
CID 11537062
ethyl 4-[5-(3-methylbutanoylamino)-2-pyridinyl]piperazine-1-carboxylate
CID 113014216
ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 3597509
N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109155589
2-fluoro-N-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857382

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate (CID 113014423) is ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)nc1.
What is the InChIKey of ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate?
The InChIKey is UXRQSEZTEXQFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-2-25-18(24)21-14-7-8-17(20-13-14)23-11-9-22(10-12-23)16-6-4-3-5-15(16)19/h3-8,13H,2,9-12H2,1H3,(H,21,24).
What are the key properties of ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate?
ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate has a molecular weight of 344.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate is sourced from PubChem (CID 113014423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).