2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyridine-3-carbonitrile

C19H20N4O2 — CID 24763113

IUPAC2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C(=O)COCc2ccccc2)CC1
InChIInChI=1S/C19H20N4O2/c20-13-17-7-4-8-21-19(17)23-11-9-22(10-12-23)18(24)15-25-14-16-5-2-1-3-6-16/h1-8H,9-12,14-15H2
InChIKeyNGGCMDAFRSVWRR-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.82
Rot. Bonds5

About 2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyridine-3-carbonitrile

2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 24763113) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID24763113
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C(=O)COCc2ccccc2)CC1
InChIInChI=1S/C19H20N4O2/c20-13-17-7-4-8-21-19(17)23-11-9-22(10-12-23)18(24)15-25-14-16-5-2-1-3-6-16/h1-8H,9-12,14-15H2
InChIKeyNGGCMDAFRSVWRR-UHFFFAOYSA-N
XLogP1.82
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 24763113) is 2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(C(=O)COCc2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is NGGCMDAFRSVWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c20-13-17-7-4-8-21-19(17)23-11-9-22(10-12-23)18(24)15-25-14-16-5-2-1-3-6-16/h1-8H,9-12,14-15H2.
What are the key properties of 2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 336.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 24763113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).