2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide

C15H26N4O2 — CID 63339437

IUPAC2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
SMILESCCC(C#N)N1CCN(CC(=O)NC2CCOCC2)CC1
InChIInChI=1S/C15H26N4O2/c1-2-14(11-16)19-7-5-18(6-8-19)12-15(20)17-13-3-9-21-10-4-13/h13-14H,2-10,12H2,1H3,(H,17,20)
InChIKeyDKCGDXGASIRRGH-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.20
Rot. Bonds5

About 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide

2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 63339437) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
PubChem CID63339437
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
SMILESCCC(C#N)N1CCN(CC(=O)NC2CCOCC2)CC1
InChIInChI=1S/C15H26N4O2/c1-2-14(11-16)19-7-5-18(6-8-19)12-15(20)17-13-3-9-21-10-4-13/h13-14H,2-10,12H2,1H3,(H,17,20)
InChIKeyDKCGDXGASIRRGH-UHFFFAOYSA-N
XLogP0.20
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide
CID 63339132
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 63341524
2-[4-(oxan-4-ylmethyl)piperazin-1-yl]butanenitrile
CID 63339955
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63339432
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 63099068
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 63340617
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide
CID 103576576
2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 95978154
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile
CID 63339094
propan-2-yl 2-[4-(1-cyanopropyl)piperazin-1-yl]acetate
CID 63339566
2-(3-aminoazetidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63760722
2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride
CID 119920439

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide (CID 63339437) is 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide is CCC(C#N)N1CCN(CC(=O)NC2CCOCC2)CC1.
What is the InChIKey of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is DKCGDXGASIRRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-2-14(11-16)19-7-5-18(6-8-19)12-15(20)17-13-3-9-21-10-4-13/h13-14H,2-10,12H2,1H3,(H,17,20).
What are the key properties of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide?
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 294.40 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63339437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).