2-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile

C23H22N4O — CID 10361810

IUPAC2-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile
SMILESN#CC(c1cccnc1)N1CCN(C(=O)Cc2cccc3ccccc23)CC1
InChIInChI=1S/C23H22N4O/c24-16-22(20-8-4-10-25-17-20)26-11-13-27(14-12-26)23(28)15-19-7-3-6-18-5-1-2-9-21(18)19/h1-10,17,22H,11-15H2
InChIKeyVUJQACNUFSYVIS-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.19
Rot. Bonds4

About 2-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile

2-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile (PubChem CID 10361810) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile.

Molecular Properties

Compound Name2-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile
PubChem CID10361810
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile
SMILESN#CC(c1cccnc1)N1CCN(C(=O)Cc2cccc3ccccc23)CC1
InChIInChI=1S/C23H22N4O/c24-16-22(20-8-4-10-25-17-20)26-11-13-27(14-12-26)23(28)15-19-7-3-6-18-5-1-2-9-21(18)19/h1-10,17,22H,11-15H2
InChIKeyVUJQACNUFSYVIS-UHFFFAOYSA-N
XLogP3.19
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile?
The IUPAC name of 2-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile (CID 10361810) is 2-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile.
What is the SMILES notation for 2-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile?
The canonical SMILES for 2-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile is N#CC(c1cccnc1)N1CCN(C(=O)Cc2cccc3ccccc23)CC1.
What is the InChIKey of 2-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile?
The InChIKey is VUJQACNUFSYVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c24-16-22(20-8-4-10-25-17-20)26-11-13-27(14-12-26)23(28)15-19-7-3-6-18-5-1-2-9-21(18)19/h1-10,17,22H,11-15H2.
What are the key properties of 2-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile?
2-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile has a molecular weight of 370.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile is sourced from PubChem (CID 10361810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).