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

C13H23N5O2 — CID 63338955

IUPAC2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCCC(C#N)N1CCN(C(C)C(=O)NC(=O)NC)CC1
InChIInChI=1S/C13H23N5O2/c1-4-11(9-14)18-7-5-17(6-8-18)10(2)12(19)16-13(20)15-3/h10-11H,4-8H2,1-3H3,(H2,15,16,19,20)
InChIKeyQZZKGKVASUOTNC-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.25
Rot. Bonds4

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

2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 63338955) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID63338955
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCCC(C#N)N1CCN(C(C)C(=O)NC(=O)NC)CC1
InChIInChI=1S/C13H23N5O2/c1-4-11(9-14)18-7-5-17(6-8-18)10(2)12(19)16-13(20)15-3/h10-11H,4-8H2,1-3H3,(H2,15,16,19,20)
InChIKeyQZZKGKVASUOTNC-UHFFFAOYSA-N
XLogP-0.25
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63339702
2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63341284
2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 63338740
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63340073
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide
CID 63339132
2-[4-(1-cyanobutyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63339834
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
(2R)-2-[4,7-bis[(2R)-1-(methylamino)-1-oxopropan-2-yl]-1,4,7-triazonan-1-yl]-N-methylpropanamide
CID 177439425
(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
CID 8902343
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 9389745

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide (CID 63338955) is 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide is CCC(C#N)N1CCN(C(C)C(=O)NC(=O)NC)CC1.
What is the InChIKey of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is QZZKGKVASUOTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-11(9-14)18-7-5-17(6-8-18)10(2)12(19)16-13(20)15-3/h10-11H,4-8H2,1-3H3,(H2,15,16,19,20).
What are the key properties of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 281.36 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 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-(methylcarbamoyl)propanamide is sourced from PubChem (CID 63338955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).