1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-methoxy-2-phenylethanone

C16H25N3O2 — CID 63337963

IUPAC1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-methoxy-2-phenylethanone
SMILESCOC(C(=O)N1CCN(C(C)CN)CC1)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-13(12-17)18-8-10-19(11-9-18)16(20)15(21-2)14-6-4-3-5-7-14/h3-7,13,15H,8-12,17H2,1-2H3
InChIKeyQCNVGPYVRFRYKX-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.87
Rot. Bonds5

About 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-methoxy-2-phenylethanone

1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-methoxy-2-phenylethanone (PubChem CID 63337963) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-methoxy-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-methoxy-2-phenylethanone
PubChem CID63337963
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-methoxy-2-phenylethanone
SMILESCOC(C(=O)N1CCN(C(C)CN)CC1)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-13(12-17)18-8-10-19(11-9-18)16(20)15(21-2)14-6-4-3-5-7-14/h3-7,13,15H,8-12,17H2,1-2H3
InChIKeyQCNVGPYVRFRYKX-UHFFFAOYSA-N
XLogP0.87
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234927
N-ethyl-4-[(2R)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234926
3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one
CID 94822095
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methoxy-2-phenylethanone
CID 63310259
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone
CID 95577530
2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone
CID 90653649
4-[(2R)-2-methoxy-2-phenylacetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 138806061
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 119413072
3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one
CID 60591801
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-methoxy-2-phenylethanone?
The IUPAC name of 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-methoxy-2-phenylethanone (CID 63337963) is 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-methoxy-2-phenylethanone.
What is the SMILES notation for 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-methoxy-2-phenylethanone?
The canonical SMILES for 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-methoxy-2-phenylethanone is COC(C(=O)N1CCN(C(C)CN)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-methoxy-2-phenylethanone?
The InChIKey is QCNVGPYVRFRYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(12-17)18-8-10-19(11-9-18)16(20)15(21-2)14-6-4-3-5-7-14/h3-7,13,15H,8-12,17H2,1-2H3.
What are the key properties of 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-methoxy-2-phenylethanone?
1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-methoxy-2-phenylethanone has a molecular weight of 291.39 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-methoxy-2-phenylethanone is sourced from PubChem (CID 63337963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).