4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide

C17H25N3O3 — CID 110811012

IUPAC4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1
InChIInChI=1S/C17H25N3O3/c1-3-7-18-17(22)20-10-8-19(9-11-20)16(21)13-14-5-4-6-15(12-14)23-2/h4-6,12H,3,7-11,13H2,1-2H3,(H,18,22)
InChIKeyQDQFGABSJSHHHN-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.50
Rot. Bonds5

About 4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide

4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide (PubChem CID 110811012) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide
PubChem CID110811012
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1
InChIInChI=1S/C17H25N3O3/c1-3-7-18-17(22)20-10-8-19(9-11-20)16(21)13-14-5-4-6-15(12-14)23-2/h4-6,12H,3,7-11,13H2,1-2H3,(H,18,22)
InChIKeyQDQFGABSJSHHHN-UHFFFAOYSA-N
XLogP1.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811014
4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide
CID 110358269
2-(3-methoxyphenyl)-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethanone;hydrochloride
CID 119754913
4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811229
N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811015
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
1-[4-[2-(3-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797234
4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95156327
2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone
CID 56822423
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate
CID 134032771

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide (CID 110811012) is 4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1.
What is the InChIKey of 4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is QDQFGABSJSHHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-7-18-17(22)20-10-8-19(9-11-20)16(21)13-14-5-4-6-15(12-14)23-2/h4-6,12H,3,7-11,13H2,1-2H3,(H,18,22).
What are the key properties of 4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide?
4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110811012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).