3-[4-[2-(cyclopropylamino)acetyl]piperazin-1-yl]propanenitrile

C12H20N4O — CID 115348021

IUPAC3-[4-[2-(cyclopropylamino)acetyl]piperazin-1-yl]propanenitrile
SMILESN#CCCN1CCN(C(=O)CNC2CC2)CC1
InChIInChI=1S/C12H20N4O/c13-4-1-5-15-6-8-16(9-7-15)12(17)10-14-11-2-3-11/h11,14H,1-3,5-10H2
InChIKeyXRBLHULRYBZPDB-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.20
Rot. Bonds5

About 3-[4-[2-(cyclopropylamino)acetyl]piperazin-1-yl]propanenitrile

3-[4-[2-(cyclopropylamino)acetyl]piperazin-1-yl]propanenitrile (PubChem CID 115348021) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[4-[2-(cyclopropylamino)acetyl]piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-[2-(cyclopropylamino)acetyl]piperazin-1-yl]propanenitrile
PubChem CID115348021
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[4-[2-(cyclopropylamino)acetyl]piperazin-1-yl]propanenitrile
SMILESN#CCCN1CCN(C(=O)CNC2CC2)CC1
InChIInChI=1S/C12H20N4O/c13-4-1-5-15-6-8-16(9-7-15)12(17)10-14-11-2-3-11/h11,14H,1-3,5-10H2
InChIKeyXRBLHULRYBZPDB-UHFFFAOYSA-N
XLogP-0.20
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanehydrazide
CID 4740709
1-(4-methylpiperazin-1-yl)-2-[(1-propylpiperidin-4-yl)amino]ethanone
CID 60695559
methyl 4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanoate
CID 54788082
1-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47314367
2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108993559
2-[4-[2-(cyclopentylamino)acetyl]piperazin-1-yl]acetic acid
CID 61161596
2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide
CID 54873492
3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile
CID 162706867
3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile
CID 115348003
1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]ethanone
CID 60695761
N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695587
4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809874

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(cyclopropylamino)acetyl]piperazin-1-yl]propanenitrile?
The IUPAC name of 3-[4-[2-(cyclopropylamino)acetyl]piperazin-1-yl]propanenitrile (CID 115348021) is 3-[4-[2-(cyclopropylamino)acetyl]piperazin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-[2-(cyclopropylamino)acetyl]piperazin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-[2-(cyclopropylamino)acetyl]piperazin-1-yl]propanenitrile is N#CCCN1CCN(C(=O)CNC2CC2)CC1.
What is the InChIKey of 3-[4-[2-(cyclopropylamino)acetyl]piperazin-1-yl]propanenitrile?
The InChIKey is XRBLHULRYBZPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-4-1-5-15-6-8-16(9-7-15)12(17)10-14-11-2-3-11/h11,14H,1-3,5-10H2.
What are the key properties of 3-[4-[2-(cyclopropylamino)acetyl]piperazin-1-yl]propanenitrile?
3-[4-[2-(cyclopropylamino)acetyl]piperazin-1-yl]propanenitrile has a molecular weight of 236.32 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(cyclopropylamino)acetyl]piperazin-1-yl]propanenitrile is sourced from PubChem (CID 115348021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).