N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide

C17H20N4O2 — CID 762653

IUPACN-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H20N4O2/c1-23-15-7-3-2-6-14(15)19-17(22)21-12-10-20(11-13-21)16-8-4-5-9-18-16/h2-9H,10-13H2,1H3,(H,19,22)
InChIKeyNSJDSEPDEOZKSZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.44
Rot. Bonds3

About N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide

N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 762653) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID762653
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H20N4O2/c1-23-15-7-3-2-6-14(15)19-17(22)21-12-10-20(11-13-21)16-8-4-5-9-18-16/h2-9H,10-13H2,1H3,(H,19,22)
InChIKeyNSJDSEPDEOZKSZ-UHFFFAOYSA-N
XLogP2.44
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide (CID 762653) is N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide is COc1ccccc1NC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is NSJDSEPDEOZKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-15-7-3-2-6-14(15)19-17(22)21-12-10-20(11-13-21)16-8-4-5-9-18-16/h2-9H,10-13H2,1H3,(H,19,22).
What are the key properties of N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 762653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).