N-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propanamide

C18H29N3O2 — CID 139638977

IUPACN-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propanamide
SMILESCCC(=O)Nc1ccc(OC(C)(C)CCN2CCNCC2)cc1
InChIInChI=1S/C18H29N3O2/c1-4-17(22)20-15-5-7-16(8-6-15)23-18(2,3)9-12-21-13-10-19-11-14-21/h5-8,19H,4,9-14H2,1-3H3,(H,20,22)
InChIKeyUZOKHGXBHZEMAO-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.49
Rot. Bonds7

About N-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propanamide

N-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propanamide (PubChem CID 139638977) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propanamide
PubChem CID139638977
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propanamide
SMILESCCC(=O)Nc1ccc(OC(C)(C)CCN2CCNCC2)cc1
InChIInChI=1S/C18H29N3O2/c1-4-17(22)20-15-5-7-16(8-6-15)23-18(2,3)9-12-21-13-10-19-11-14-21/h5-8,19H,4,9-14H2,1-3H3,(H,20,22)
InChIKeyUZOKHGXBHZEMAO-UHFFFAOYSA-N
XLogP2.49
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propan-1-one
CID 139638679
tert-butyl 4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxybenzoate
CID 139638894
1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine
CID 139639269
N-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]pentane-1-sulfinamide
CID 139638761
N-[4-(2-piperazin-1-ylethylsulfamoyl)phenyl]propanamide
CID 119966333
1-[3-methyl-3-(4-pentylsulfinylphenoxy)butyl]piperazine
CID 139638768
N-[4-(piperazine-1-carbonyl)phenyl]propanamide
CID 53215907
N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]propanamide
CID 170102593
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide
CID 95481288
N-[4-[4-[4-[2,6-dioxo-1,3-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methylbutan-2-yl]oxyphenyl]heptanamide
CID 139639021
N-[4-(tert-butylamino)phenyl]-2-piperazin-1-ylacetamide;N-[4-(tert-butylamino)phenyl]-2-piperidin-1-ylacetamide;methane
CID 158031783
1-[3-methyl-3-(3-nitrophenoxy)butyl]piperazine
CID 139638766

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propanamide?
The IUPAC name of N-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propanamide (CID 139638977) is N-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propanamide.
What is the SMILES notation for N-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propanamide?
The canonical SMILES for N-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propanamide is CCC(=O)Nc1ccc(OC(C)(C)CCN2CCNCC2)cc1.
What is the InChIKey of N-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propanamide?
The InChIKey is UZOKHGXBHZEMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-17(22)20-15-5-7-16(8-6-15)23-18(2,3)9-12-21-13-10-19-11-14-21/h5-8,19H,4,9-14H2,1-3H3,(H,20,22).
What are the key properties of N-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propanamide?
N-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propanamide has a molecular weight of 319.45 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propanamide is sourced from PubChem (CID 139638977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).