4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide

C17H25N3O3 — CID 110365950

IUPAC4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1
InChIInChI=1S/C17H25N3O3/c1-3-8-18-17(22)20-11-9-19(10-12-20)16(21)13-23-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,18,22)
InChIKeyLRRWORMNJHIHJU-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.64
Rot. Bonds5

About 4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide

4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide (PubChem CID 110365950) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide
PubChem CID110365950
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1
InChIInChI=1S/C17H25N3O3/c1-3-8-18-17(22)20-11-9-19(10-12-20)16(21)13-23-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,18,22)
InChIKeyLRRWORMNJHIHJU-UHFFFAOYSA-N
XLogP1.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
N-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide
CID 38828911
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458
1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 806922
4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812417
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074
2,2,2-trifluoro-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108533453
4-chloro-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 108569907
methyl 4-[3-(4-methylphenoxy)propylcarbamoyl]piperazine-1-carboxylate
CID 108881529
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108533580

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide (CID 110365950) is 4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1.
What is the InChIKey of 4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is LRRWORMNJHIHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-8-18-17(22)20-11-9-19(10-12-20)16(21)13-23-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,18,22).
What are the key properties of 4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide?
4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110365950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).