3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one

C17H25N3O4 — CID 4740257

IUPAC3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1OCCC(=O)N1CCN(C(=O)CCN)CC1
InChIInChI=1S/C17H25N3O4/c1-23-14-4-2-3-5-15(14)24-13-7-17(22)20-11-9-19(10-12-20)16(21)6-8-18/h2-5H,6-13,18H2,1H3
InChIKeySEOOFRHFOSPDEP-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.48
Rot. Bonds7

About 3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one

3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one (PubChem CID 4740257) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one
PubChem CID4740257
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1OCCC(=O)N1CCN(C(=O)CCN)CC1
InChIInChI=1S/C17H25N3O4/c1-23-14-4-2-3-5-15(14)24-13-7-17(22)20-11-9-19(10-12-20)16(21)6-8-18/h2-5H,6-13,18H2,1H3
InChIKeySEOOFRHFOSPDEP-UHFFFAOYSA-N
XLogP0.48
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid
CID 4740273
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 95758763
1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 124593466
3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 60601108
3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124574968
4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]-3-methylbenzaldehyde
CID 4742142
1-[4-(2-aminoacetyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-1-one
CID 4740302
1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 45429307
4-[2-(2-methoxyphenoxy)acetyl]piperazine-1-carbothioamide
CID 2050365
3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39288381
3-amino-1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119342573
3-(2-aminophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 61094127

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one (CID 4740257) is 3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one is COc1ccccc1OCCC(=O)N1CCN(C(=O)CCN)CC1.
What is the InChIKey of 3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one?
The InChIKey is SEOOFRHFOSPDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-23-14-4-2-3-5-15(14)24-13-7-17(22)20-11-9-19(10-12-20)16(21)6-8-18/h2-5H,6-13,18H2,1H3.
What are the key properties of 3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one?
3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one has a molecular weight of 335.40 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 4740257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).