3-(3-hydroxyphenyl)-1-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one

C20H31N3O2 — CID 77079690

IUPAC3-(3-hydroxyphenyl)-1-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCN1CCN(CC2CCCN(C(=O)CCc3cccc(O)c3)C2)CC1
InChIInChI=1S/C20H31N3O2/c1-21-10-12-22(13-11-21)15-18-5-3-9-23(16-18)20(25)8-7-17-4-2-6-19(24)14-17/h2,4,6,14,18,24H,3,5,7-13,15-16H2,1H3
InChIKeyVUBUOYBCTLZNIU-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.81
Rot. Bonds5

About 3-(3-hydroxyphenyl)-1-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one

3-(3-hydroxyphenyl)-1-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 77079690) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-1-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-1-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID77079690
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-(3-hydroxyphenyl)-1-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCN1CCN(CC2CCCN(C(=O)CCc3cccc(O)c3)C2)CC1
InChIInChI=1S/C20H31N3O2/c1-21-10-12-22(13-11-21)15-18-5-3-9-23(16-18)20(25)8-7-17-4-2-6-19(24)14-17/h2,4,6,14,18,24H,3,5,7-13,15-16H2,1H3
InChIKeyVUBUOYBCTLZNIU-UHFFFAOYSA-N
XLogP1.81
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-hydroxyphenyl)-1-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethylphenyl)-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-4-oxobutanamide
CID 131927649
1-(3-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399726
3-(3-hydroxyphenyl)-1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-1-one
CID 77081008
1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 124628214
1-[3-(2-chloroethyl)piperidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 63395665
2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 61399395
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816
2,2-dimethyl-N-[[(3R)-1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]methyl]propanamide
CID 95334060
3-[1-[2-(3-hydroxyphenyl)acetyl]piperidin-3-yl]propanamide
CID 70734679
methyl 4-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutanoate
CID 42558151
2-(3-hydroxyphenyl)-1-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]ethanone
CID 95894928
1-[3-(phenoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110638413

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-1-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-hydroxyphenyl)-1-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one (CID 77079690) is 3-(3-hydroxyphenyl)-1-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-hydroxyphenyl)-1-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-hydroxyphenyl)-1-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one is CN1CCN(CC2CCCN(C(=O)CCc3cccc(O)c3)C2)CC1.
What is the InChIKey of 3-(3-hydroxyphenyl)-1-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is VUBUOYBCTLZNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-21-10-12-22(13-11-21)15-18-5-3-9-23(16-18)20(25)8-7-17-4-2-6-19(24)14-17/h2,4,6,14,18,24H,3,5,7-13,15-16H2,1H3.
What are the key properties of 3-(3-hydroxyphenyl)-1-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one?
3-(3-hydroxyphenyl)-1-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 345.49 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-1-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 77079690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).