phenyl N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate

C25H28N4O3 — CID 3237664

IUPACphenyl N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate
SMILESCOc1ccc(N2CCN(C(CNC(=O)Oc3ccccc3)c3cccnc3)CC2)cc1
InChIInChI=1S/C25H28N4O3/c1-31-22-11-9-21(10-12-22)28-14-16-29(17-15-28)24(20-6-5-13-26-18-20)19-27-25(30)32-23-7-3-2-4-8-23/h2-13,18,24H,14-17,19H2,1H3,(H,27,30)
InChIKeyFMGUMOWXLPMYCP-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.74
Rot. Bonds7

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

phenyl N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate (PubChem CID 3237664) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is phenyl N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate
PubChem CID3237664
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Namephenyl N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate
SMILESCOc1ccc(N2CCN(C(CNC(=O)Oc3ccccc3)c3cccnc3)CC2)cc1
InChIInChI=1S/C25H28N4O3/c1-31-22-11-9-21(10-12-22)28-14-16-29(17-15-28)24(20-6-5-13-26-18-20)19-27-25(30)32-23-7-3-2-4-8-23/h2-13,18,24H,14-17,19H2,1H3,(H,27,30)
InChIKeyFMGUMOWXLPMYCP-UHFFFAOYSA-N
XLogP3.74
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate?
The IUPAC name of phenyl N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate (CID 3237664) is phenyl N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate.
What is the SMILES notation for phenyl N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate?
The canonical SMILES for phenyl N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate is COc1ccc(N2CCN(C(CNC(=O)Oc3ccccc3)c3cccnc3)CC2)cc1.
What is the InChIKey of phenyl N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate?
The InChIKey is FMGUMOWXLPMYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-31-22-11-9-21(10-12-22)28-14-16-29(17-15-28)24(20-6-5-13-26-18-20)19-27-25(30)32-23-7-3-2-4-8-23/h2-13,18,24H,14-17,19H2,1H3,(H,27,30).
What are the key properties of phenyl N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate?
phenyl N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate has a molecular weight of 432.52 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate is sourced from PubChem (CID 3237664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).