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

C23H22N4O — CID 10384542

IUPAC2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile
SMILESN#CC(c1cccnc1)N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H22N4O/c24-16-22(21-6-3-9-25-17-21)26-10-12-27(13-11-26)23(28)15-18-7-8-19-4-1-2-5-20(19)14-18/h1-9,14,17,22H,10-13,15H2
InChIKeyHSRUFEJTMLJCHS-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.19
Rot. Bonds4

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

2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile (PubChem CID 10384542) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile.

Molecular Properties

Compound Name2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile
PubChem CID10384542
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile
SMILESN#CC(c1cccnc1)N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H22N4O/c24-16-22(21-6-3-9-25-17-21)26-10-12-27(13-11-26)23(28)15-18-7-8-19-4-1-2-5-20(19)14-18/h1-9,14,17,22H,10-13,15H2
InChIKeyHSRUFEJTMLJCHS-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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Related Compounds

(2S)-2-amino-3-(naphthalen-1-yl)-N-{5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}propanamide
CID 23646978
N-(4-fluorobenzyl)-N-(pyridin-4-yl)-2-naphthamide
CID 46886448
(2,6-Dimethylphenyl)(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone
CID 10163007
(4-Phenylphenyl)-[4-(2-pyridylmethyl)piperazino]methanone
CID 1148103
1-Isonicotinoyl-4-(1-naphthoyl)piperazine
CID 787271
2-(2-Oxo-5-pyridin-2-yl-1-pyridin-3-yl-3-pyridinyl)benzonitrile
CID 9924536
(4-Diphenylacetyl-piperazin-1-yl)-pyridin-3-yl-acetonitrile
CID 9978062
(2-Methyl-pyridin-3-yl)-[4-(3-phenyl-3-pyrrolidin-1-yl-propionyl)-piperazin-1-yl]-acetonitrile
CID 9979382
N-{2-[4-(Cyano-pyridin-4-yl-methyl)-piperazin-1-yl]-2-oxo-ethyl}-2,2-diphenyl-acetamide
CID 9981360
2-[4-(Cyano-pyridin-3-yl-methyl)-piperazin-1-yl]-N-(3,3-diphenyl-propyl)-acetamide; hydrate
CID 9981367
N-Benzhydryl-N-(2-{4-[cyano-(2-methyl-pyridin-3-yl)-methyl]-piperazin-1-yl}-2-oxo-ethyl)-acetamide
CID 9982678
{4-[2-(Benzyl-phenyl-amino)-acetyl]-piperazin-1-yl}-pyridin-3-yl-acetonitrile
CID 10002537

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile?
The IUPAC name of 2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile (CID 10384542) is 2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile.
What is the SMILES notation for 2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile?
The canonical SMILES for 2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile is N#CC(c1cccnc1)N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile?
The InChIKey is HSRUFEJTMLJCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c24-16-22(21-6-3-9-25-17-21)26-10-12-27(13-11-26)23(28)15-18-7-8-19-4-1-2-5-20(19)14-18/h1-9,14,17,22H,10-13,15H2.
What are the key properties of 2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile?
2-[4-(2-naphthalen-2-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-2-ylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile is sourced from PubChem (CID 10384542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).