3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide

C16H25N3O2 — CID 30750718

IUPAC3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCCOc1ccc(CN2CCN(CCC(N)=O)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-2-21-15-5-3-14(4-6-15)13-19-11-9-18(10-12-19)8-7-16(17)20/h3-6H,2,7-13H2,1H3,(H2,17,20)
InChIKeyNFXHYVZQEIFBQG-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.08
Rot. Bonds7

About 3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide

3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide (PubChem CID 30750718) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
PubChem CID30750718
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCCOc1ccc(CN2CCN(CCC(N)=O)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-2-21-15-5-3-14(4-6-15)13-19-11-9-18(10-12-19)8-7-16(17)20/h3-6H,2,7-13H2,1H3,(H2,17,20)
InChIKeyNFXHYVZQEIFBQG-UHFFFAOYSA-N
XLogP1.08
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
CID 2902011
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 141313696
4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34933504
1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine
CID 2881274
3-(4-ethoxyphenyl)propanamide;hydrochloride
CID 172679140
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366016
1-[(3-chlorophenyl)methyl]-4-[(4-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 17366705
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 30737845
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone;oxalic acid
CID 163329557
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 163326478
1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 763918

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of 3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide (CID 30750718) is 3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for 3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide is CCOc1ccc(CN2CCN(CCC(N)=O)CC2)cc1.
What is the InChIKey of 3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is NFXHYVZQEIFBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-21-15-5-3-14(4-6-15)13-19-11-9-18(10-12-19)8-7-16(17)20/h3-6H,2,7-13H2,1H3,(H2,17,20).
What are the key properties of 3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide?
3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 30750718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).