3-phenyl-2-piperazin-1-ylbutanamide

C14H21N3O — CID 61307843

IUPAC3-phenyl-2-piperazin-1-ylbutanamide
SMILESCC(c1ccccc1)C(C(N)=O)N1CCNCC1
InChIInChI=1S/C14H21N3O/c1-11(12-5-3-2-4-6-12)13(14(15)18)17-9-7-16-8-10-17/h2-6,11,13,16H,7-10H2,1H3,(H2,15,18)
InChIKeyHQIGADSTCMCNJU-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.55
Rot. Bonds4

About 3-phenyl-2-piperazin-1-ylbutanamide

3-phenyl-2-piperazin-1-ylbutanamide (PubChem CID 61307843) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-phenyl-2-piperazin-1-ylbutanamide.

Molecular Properties

Compound Name3-phenyl-2-piperazin-1-ylbutanamide
PubChem CID61307843
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-phenyl-2-piperazin-1-ylbutanamide
SMILESCC(c1ccccc1)C(C(N)=O)N1CCNCC1
InChIInChI=1S/C14H21N3O/c1-11(12-5-3-2-4-6-12)13(14(15)18)17-9-7-16-8-10-17/h2-6,11,13,16H,7-10H2,1H3,(H2,15,18)
InChIKeyHQIGADSTCMCNJU-UHFFFAOYSA-N
XLogP0.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
3-hydroxy-2-piperazin-1-ylbutanamide
CID 66898165
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
3-methoxy-2-piperazin-1-ylbutanamide
CID 69091413
1-phenyl-2-piperazin-1-ylpropan-1-ol
CID 82264476
2-phenyl-2-piperazin-1-ylacetyl fluoride
CID 90420857
2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882
phenyl(piperazin-1-yl)methanol
CID 23037926
(3R)-2-methyl-3-phenylbutanamide
CID 140836270
2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 54891952
3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one
CID 82086271

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-piperazin-1-ylbutanamide?
The IUPAC name of 3-phenyl-2-piperazin-1-ylbutanamide (CID 61307843) is 3-phenyl-2-piperazin-1-ylbutanamide.
What is the SMILES notation for 3-phenyl-2-piperazin-1-ylbutanamide?
The canonical SMILES for 3-phenyl-2-piperazin-1-ylbutanamide is CC(c1ccccc1)C(C(N)=O)N1CCNCC1.
What is the InChIKey of 3-phenyl-2-piperazin-1-ylbutanamide?
The InChIKey is HQIGADSTCMCNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(12-5-3-2-4-6-12)13(14(15)18)17-9-7-16-8-10-17/h2-6,11,13,16H,7-10H2,1H3,(H2,15,18).
What are the key properties of 3-phenyl-2-piperazin-1-ylbutanamide?
3-phenyl-2-piperazin-1-ylbutanamide has a molecular weight of 247.34 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-piperazin-1-ylbutanamide is sourced from PubChem (CID 61307843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).