2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile

C15H23N3O — CID 63337376

IUPAC2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(C(=O)C2CC3CCC2C3)CC1
InChIInChI=1S/C15H23N3O/c1-11(10-16)17-4-6-18(7-5-17)15(19)14-9-12-2-3-13(14)8-12/h11-14H,2-9H2,1H3
InChIKeySQWTZSLEVMCLOH-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.48
Rot. Bonds2

About 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile

2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile (PubChem CID 63337376) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile
PubChem CID63337376
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(C(=O)C2CC3CCC2C3)CC1
InChIInChI=1S/C15H23N3O/c1-11(10-16)17-4-6-18(7-5-17)15(19)14-9-12-2-3-13(14)8-12/h11-14H,2-9H2,1H3
InChIKeySQWTZSLEVMCLOH-UHFFFAOYSA-N
XLogP1.48
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99726376
2-[4-(2-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile
CID 107178572
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
CID 11871768
1-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021690
2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone
CID 63390766
2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide
CID 47124968
2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 134043906
4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide
CID 55218893
2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile
CID 83155007
4-(1-cyanoethyl)piperazine-1-carboxamide
CID 63341285
N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365135
[(3S)-1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 129377734

Frequently Asked Questions

What is the IUPAC name of 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile (CID 63337376) is 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile is CC(C#N)N1CCN(C(=O)C2CC3CCC2C3)CC1.
What is the InChIKey of 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile?
The InChIKey is SQWTZSLEVMCLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(10-16)17-4-6-18(7-5-17)15(19)14-9-12-2-3-13(14)8-12/h11-14H,2-9H2,1H3.
What are the key properties of 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile?
2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile has a molecular weight of 261.37 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 63337376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).