1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile

C14H16N4O2 — CID 118199294

IUPAC1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCN(C(=O)C3(C#N)CC3)CC2)CC1
InChIInChI=1S/C14H16N4O2/c15-9-13(1-2-13)11(19)17-5-7-18(8-6-17)12(20)14(10-16)3-4-14/h1-8H2
InChIKeyYXLUDNIFVJKUSL-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.26
Rot. Bonds2

About 1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile

1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile (PubChem CID 118199294) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
PubChem CID118199294
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCN(C(=O)C3(C#N)CC3)CC2)CC1
InChIInChI=1S/C14H16N4O2/c15-9-13(1-2-13)11(19)17-5-7-18(8-6-17)12(20)14(10-16)3-4-14/h1-8H2
InChIKeyYXLUDNIFVJKUSL-UHFFFAOYSA-N
XLogP0.26
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile (CID 118199294) is 1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile is N#CC1(C(=O)N2CCN(C(=O)C3(C#N)CC3)CC2)CC1.
What is the InChIKey of 1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile?
The InChIKey is YXLUDNIFVJKUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-9-13(1-2-13)11(19)17-5-7-18(8-6-17)12(20)14(10-16)3-4-14/h1-8H2.
What are the key properties of 1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile?
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile has a molecular weight of 272.31 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 118199294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).