methyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate

C19H23FN4O2 — CID 4070060

IUPACmethyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate
SMILESCOC(=O)NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H23FN4O2/c1-26-19(25)22-14-18(15-5-4-8-21-13-15)24-11-9-23(10-12-24)17-7-3-2-6-16(17)20/h2-8,13,18H,9-12,14H2,1H3,(H,22,25)
InChIKeyBRSDYTOIPXVADW-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.44
Rot. Bonds5

About methyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate

methyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate (PubChem CID 4070060) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is methyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate
PubChem CID4070060
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Namemethyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate
SMILESCOC(=O)NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H23FN4O2/c1-26-19(25)22-14-18(15-5-4-8-21-13-15)24-11-9-23(10-12-24)17-7-3-2-6-16(17)20/h2-8,13,18H,9-12,14H2,1H3,(H,22,25)
InChIKeyBRSDYTOIPXVADW-UHFFFAOYSA-N
XLogP2.44
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate?
The IUPAC name of methyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate (CID 4070060) is methyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate.
What is the SMILES notation for methyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate?
The canonical SMILES for methyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate is COC(=O)NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of methyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate?
The InChIKey is BRSDYTOIPXVADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-26-19(25)22-14-18(15-5-4-8-21-13-15)24-11-9-23(10-12-24)17-7-3-2-6-16(17)20/h2-8,13,18H,9-12,14H2,1H3,(H,22,25).
What are the key properties of methyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate?
methyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate has a molecular weight of 358.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate is sourced from PubChem (CID 4070060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).