4-(4-methylpiperazin-1-yl)-2-phenylbutanamide

C15H23N3O — CID 54530571

IUPAC4-(4-methylpiperazin-1-yl)-2-phenylbutanamide
SMILESCN1CCN(CCC(C(N)=O)c2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-17-9-11-18(12-10-17)8-7-14(15(16)19)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H2,16,19)
InChIKeyIJPZXKGOPUJNJP-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.89
Rot. Bonds5

About 4-(4-methylpiperazin-1-yl)-2-phenylbutanamide

4-(4-methylpiperazin-1-yl)-2-phenylbutanamide (PubChem CID 54530571) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-phenylbutanamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-phenylbutanamide
PubChem CID54530571
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-(4-methylpiperazin-1-yl)-2-phenylbutanamide
SMILESCN1CCN(CCC(C(N)=O)c2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-17-9-11-18(12-10-17)8-7-14(15(16)19)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H2,16,19)
InChIKeyIJPZXKGOPUJNJP-UHFFFAOYSA-N
XLogP0.89
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
CID 71449759
3-(4-methylpiperazin-1-yl)-2-phenylpropanimidamide
CID 64536264
2-phenylheptanamide
CID 67221214
(2R)-2-phenylbutanamide
CID 139147476
2-(4-benzhydrylpiperazin-1-yl)ethyl acetate
CID 57189910
5-oxo-2-phenylpentanamide
CID 154070260
N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 125175804
3-amino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 62877300
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 61251743
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid
CID 64565025
2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 86915510

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-phenylbutanamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-phenylbutanamide (CID 54530571) is 4-(4-methylpiperazin-1-yl)-2-phenylbutanamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-phenylbutanamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-phenylbutanamide is CN1CCN(CCC(C(N)=O)c2ccccc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-phenylbutanamide?
The InChIKey is IJPZXKGOPUJNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17-9-11-18(12-10-17)8-7-14(15(16)19)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H2,16,19).
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-phenylbutanamide?
4-(4-methylpiperazin-1-yl)-2-phenylbutanamide has a molecular weight of 261.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2-phenylbutanamide is sourced from PubChem (CID 54530571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).