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

C19H24N4O2 — CID 3503413

IUPACmethyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate
SMILESCOC(=O)NCC(c1cccnc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H24N4O2/c1-25-19(24)21-15-18(16-6-5-9-20-14-16)23-12-10-22(11-13-23)17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3,(H,21,24)
InChIKeyPYYNVSREGIEBFX-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.30
Rot. Bonds5

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

methyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate (PubChem CID 3503413) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is methyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate
PubChem CID3503413
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Namemethyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate
SMILESCOC(=O)NCC(c1cccnc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H24N4O2/c1-25-19(24)21-15-18(16-6-5-9-20-14-16)23-12-10-22(11-13-23)17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3,(H,21,24)
InChIKeyPYYNVSREGIEBFX-UHFFFAOYSA-N
XLogP2.30
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.30
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-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate?
The IUPAC name of methyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate (CID 3503413) is methyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate.
What is the SMILES notation for methyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate?
The canonical SMILES for methyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate is COC(=O)NCC(c1cccnc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of methyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate?
The InChIKey is PYYNVSREGIEBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-19(24)21-15-18(16-6-5-9-20-14-16)23-12-10-22(11-13-23)17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3,(H,21,24).
What are the key properties of methyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate?
methyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate has a molecular weight of 340.43 g/mol, XLogP of 2.30, 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-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate is sourced from PubChem (CID 3503413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).