N-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide

C17H27N3O3 — CID 719567

IUPACN-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(CCC(=O)Nc2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C17H27N3O3/c1-4-19-7-9-20(10-8-19)6-5-17(21)18-14-11-15(22-2)13-16(12-14)23-3/h11-13H,4-10H2,1-3H3,(H,18,21)
InChIKeyYAXQRMHDTBZDKH-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.67
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide

N-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide (PubChem CID 719567) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
PubChem CID719567
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(CCC(=O)Nc2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C17H27N3O3/c1-4-19-7-9-20(10-8-19)6-5-17(21)18-14-11-15(22-2)13-16(12-14)23-3/h11-13H,4-10H2,1-3H3,(H,18,21)
InChIKeyYAXQRMHDTBZDKH-UHFFFAOYSA-N
XLogP1.67
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide (CID 719567) is N-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide is CCN1CCN(CCC(=O)Nc2cc(OC)cc(OC)c2)CC1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
The InChIKey is YAXQRMHDTBZDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-4-19-7-9-20(10-8-19)6-5-17(21)18-14-11-15(22-2)13-16(12-14)23-3/h11-13H,4-10H2,1-3H3,(H,18,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
N-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide has a molecular weight of 321.42 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 719567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).