2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide

C12H21N5O2 — CID 63341284

IUPAC2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCN(C(C)C#N)CC1
InChIInChI=1S/C12H21N5O2/c1-9(8-13)16-4-6-17(7-5-16)10(2)11(18)15-12(19)14-3/h9-10H,4-7H2,1-3H3,(H2,14,15,18,19)
InChIKeyRBJAODLTOSFRIY-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.64
Rot. Bonds3

About 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide

2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 63341284) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID63341284
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCN(C(C)C#N)CC1
InChIInChI=1S/C12H21N5O2/c1-9(8-13)16-4-6-17(7-5-16)10(2)11(18)15-12(19)14-3/h9-10H,4-7H2,1-3H3,(H2,14,15,18,19)
InChIKeyRBJAODLTOSFRIY-UHFFFAOYSA-N
XLogP-0.64
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63338955
2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63339702
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60820303
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119923499
2-[4-(1-cyanoethyl)piperazin-1-yl]propanamide
CID 63338755
N-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42950768
(2R)-2-[4,7-bis[(2R)-1-(methylamino)-1-oxopropan-2-yl]-1,4,7-triazonan-1-yl]-N-methylpropanamide
CID 177439425
2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 63341111
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63340073
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 46800721
(2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(methylcarbamoyl)propanamide
CID 35425676
2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 63761122

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide (CID 63341284) is 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N1CCN(C(C)C#N)CC1.
What is the InChIKey of 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is RBJAODLTOSFRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-9(8-13)16-4-6-17(7-5-16)10(2)11(18)15-12(19)14-3/h9-10H,4-7H2,1-3H3,(H2,14,15,18,19).
What are the key properties of 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 267.33 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 63341284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).