3-piperazin-1-yl-N-pyridin-2-ylbutanamide

C13H20N4O — CID 115189124

IUPAC3-piperazin-1-yl-N-pyridin-2-ylbutanamide
SMILESCC(CC(=O)Nc1ccccn1)N1CCNCC1
InChIInChI=1S/C13H20N4O/c1-11(17-8-6-14-7-9-17)10-13(18)16-12-4-2-3-5-15-12/h2-5,11,14H,6-10H2,1H3,(H,15,16,18)
InChIKeyASHLOLBMSXXUKY-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.70
Rot. Bonds4

About 3-piperazin-1-yl-N-pyridin-2-ylbutanamide

3-piperazin-1-yl-N-pyridin-2-ylbutanamide (PubChem CID 115189124) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-piperazin-1-yl-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name3-piperazin-1-yl-N-pyridin-2-ylbutanamide
PubChem CID115189124
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-piperazin-1-yl-N-pyridin-2-ylbutanamide
SMILESCC(CC(=O)Nc1ccccn1)N1CCNCC1
InChIInChI=1S/C13H20N4O/c1-11(17-8-6-14-7-9-17)10-13(18)16-12-4-2-3-5-15-12/h2-5,11,14H,6-10H2,1H3,(H,15,16,18)
InChIKeyASHLOLBMSXXUKY-UHFFFAOYSA-N
XLogP0.70
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3-piperazin-1-ylbutanamide
CID 84606772
3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide
CID 115189153
2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407274
2-piperidin-4-yl-N-pyridin-2-ylacetamide;dihydrochloride
CID 119827189
4-methyl-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide
CID 71195542
2-(butan-2-ylamino)-N-pyridin-2-ylacetamide
CID 60852283
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526
2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
CID 115180971
N-pyridin-2-yl-2-(2-pyridin-4-ylpiperazin-1-yl)acetamide
CID 66864946
4-methyl-1-propan-2-yl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 134515265

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-N-pyridin-2-ylbutanamide?
The IUPAC name of 3-piperazin-1-yl-N-pyridin-2-ylbutanamide (CID 115189124) is 3-piperazin-1-yl-N-pyridin-2-ylbutanamide.
What is the SMILES notation for 3-piperazin-1-yl-N-pyridin-2-ylbutanamide?
The canonical SMILES for 3-piperazin-1-yl-N-pyridin-2-ylbutanamide is CC(CC(=O)Nc1ccccn1)N1CCNCC1.
What is the InChIKey of 3-piperazin-1-yl-N-pyridin-2-ylbutanamide?
The InChIKey is ASHLOLBMSXXUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-11(17-8-6-14-7-9-17)10-13(18)16-12-4-2-3-5-15-12/h2-5,11,14H,6-10H2,1H3,(H,15,16,18).
What are the key properties of 3-piperazin-1-yl-N-pyridin-2-ylbutanamide?
3-piperazin-1-yl-N-pyridin-2-ylbutanamide has a molecular weight of 248.33 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 115189124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).