3-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide

C14H24N4O — CID 55201788

IUPAC3-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C)(C#N)N1CCN(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C14H24N4O/c1-14(2,11-15)18-9-7-17(8-10-18)6-5-13(19)16-12-3-4-12/h12H,3-10H2,1-2H3,(H,16,19)
InChIKeyXPKYBUAUEWSIHM-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.57
Rot. Bonds5

About 3-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide

3-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 55201788) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID55201788
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C)(C#N)N1CCN(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C14H24N4O/c1-14(2,11-15)18-9-7-17(8-10-18)6-5-13(19)16-12-3-4-12/h12H,3-10H2,1-2H3,(H,16,19)
InChIKeyXPKYBUAUEWSIHM-UHFFFAOYSA-N
XLogP0.57
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 51077572
N-cyclopropyl-3-(4-methylpiperidin-1-yl)propanamide
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2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid
CID 62626328
4-(2-cyanopropan-2-yl)-N-cyclohexylpiperazine-1-carboxamide
CID 60681900
N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854650
N-cyclopropyl-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propanamide
CID 63853098
N-cycloheptyl-3-pyrrolidin-1-ylpropanamide
CID 110688180
3-(azepan-1-yl)-N-cyclohexylpropanamide
CID 109014005
N-cyclohexyl-3-pyrrolidin-1-ylpropanamide
CID 71029146
N-cyclohexyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 60706788
N-(2-cyanoethyl)-2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]acetamide
CID 63339386
N-cyclopropyl-3-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106672855

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide (CID 55201788) is 3-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide is CC(C)(C#N)N1CCN(CCC(=O)NC2CC2)CC1.
What is the InChIKey of 3-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is XPKYBUAUEWSIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,11-15)18-9-7-17(8-10-18)6-5-13(19)16-12-3-4-12/h12H,3-10H2,1-2H3,(H,16,19).
What are the key properties of 3-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide?
3-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 55201788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).