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

C19H21N3O — CID 54788097

IUPAC3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile
SMILESN#CCCN1CCN(C(=O)Cc2cccc3ccccc23)CC1
InChIInChI=1S/C19H21N3O/c20-9-4-10-21-11-13-22(14-12-21)19(23)15-17-7-3-6-16-5-1-2-8-18(16)17/h1-3,5-8H,4,10-15H2
InChIKeyHCQUTPNILFMXHX-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.44
Rot. Bonds4

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

3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile (PubChem CID 54788097) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile
PubChem CID54788097
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile
SMILESN#CCCN1CCN(C(=O)Cc2cccc3ccccc23)CC1
InChIInChI=1S/C19H21N3O/c20-9-4-10-21-11-13-22(14-12-21)19(23)15-17-7-3-6-16-5-1-2-8-18(16)17/h1-3,5-8H,4,10-15H2
InChIKeyHCQUTPNILFMXHX-UHFFFAOYSA-N
XLogP2.44
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 90533764
1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 90508787
3-[3,5-dimethyl-4-[3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxopropyl]pyrazol-1-yl]propanenitrile
CID 31533439
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 37132816
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 7921209
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide
CID 60520082
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 80702768
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 20969017
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile
CID 78945470
3-[4-(2-chloro-2-phenylacetyl)piperazin-1-yl]propanenitrile
CID 115347864

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile (CID 54788097) is 3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile is N#CCCN1CCN(C(=O)Cc2cccc3ccccc23)CC1.
What is the InChIKey of 3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile?
The InChIKey is HCQUTPNILFMXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c20-9-4-10-21-11-13-22(14-12-21)19(23)15-17-7-3-6-16-5-1-2-8-18(16)17/h1-3,5-8H,4,10-15H2.
What are the key properties of 3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile?
3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile has a molecular weight of 307.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 54788097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).