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

C14H25N5O2 — CID 63339702

IUPAC2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCCCC(C#N)N1CCN(C(C)C(=O)NC(=O)NC)CC1
InChIInChI=1S/C14H25N5O2/c1-4-5-12(10-15)19-8-6-18(7-9-19)11(2)13(20)17-14(21)16-3/h11-12H,4-9H2,1-3H3,(H2,16,17,20,21)
InChIKeyFMAIPNAETYMUHC-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.14
Rot. Bonds5

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

2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 63339702) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID63339702
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCCCC(C#N)N1CCN(C(C)C(=O)NC(=O)NC)CC1
InChIInChI=1S/C14H25N5O2/c1-4-5-12(10-15)19-8-6-18(7-9-19)11(2)13(20)17-14(21)16-3/h11-12H,4-9H2,1-3H3,(H2,16,17,20,21)
InChIKeyFMAIPNAETYMUHC-UHFFFAOYSA-N
XLogP0.14
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.14
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-propan-2-ylpropanamide
CID 63339834
2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63341284
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63340073
2-[4-(1-cyanobutyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 55201973
3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide
CID 63340023
2-[4-(1-cyanobutyl)piperazin-1-yl]pentanoic acid
CID 83041979
2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile
CID 63337433
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60820303
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119923499
N-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42950768
(2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(methylcarbamoyl)propanamide
CID 35425676

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide (CID 63339702) is 2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide is CCCC(C#N)N1CCN(C(C)C(=O)NC(=O)NC)CC1.
What is the InChIKey of 2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is FMAIPNAETYMUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-4-5-12(10-15)19-8-6-18(7-9-19)11(2)13(20)17-14(21)16-3/h11-12H,4-9H2,1-3H3,(H2,16,17,20,21).
What are the key properties of 2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 295.39 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 63339702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).