3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one

C17H27N3O2 — CID 119953755

IUPAC3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one
SMILESCC(O)CN1CCN(C(=O)CC(N)c2ccccc2)CC1C
InChIInChI=1S/C17H27N3O2/c1-13-11-20(9-8-19(13)12-14(2)21)17(22)10-16(18)15-6-4-3-5-7-15/h3-7,13-14,16,21H,8-12,18H2,1-2H3
InChIKeyCBHGVYZHHPOYAU-UHFFFAOYSA-N
MW305.42 g/mol
LogP0.99
Rot. Bonds5

About 3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one

3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 119953755) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one
PubChem CID119953755
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one
SMILESCC(O)CN1CCN(C(=O)CC(N)c2ccccc2)CC1C
InChIInChI=1S/C17H27N3O2/c1-13-11-20(9-8-19(13)12-14(2)21)17(22)10-16(18)15-6-4-3-5-7-15/h3-7,13-14,16,21H,8-12,18H2,1-2H3
InChIKeyCBHGVYZHHPOYAU-UHFFFAOYSA-N
XLogP0.99
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119880087
3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one
CID 119952419
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 62941753
(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid
CID 81120276
(1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 136530287
(3R)-3-amino-1-[4-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 124694201
(1-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 136528204
3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 112702989
3-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119949477
4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide
CID 61041324
2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride
CID 119880157

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one (CID 119953755) is 3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one is CC(O)CN1CCN(C(=O)CC(N)c2ccccc2)CC1C.
What is the InChIKey of 3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is CBHGVYZHHPOYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-11-20(9-8-19(13)12-14(2)21)17(22)10-16(18)15-6-4-3-5-7-15/h3-7,13-14,16,21H,8-12,18H2,1-2H3.
What are the key properties of 3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one?
3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 305.42 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 119953755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).