4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

C28H31N3O2 — CID 18475734

IUPAC4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESCN1CCN(c2cccc3c2CC(NC(=O)c2ccc(-c4ccc(O)cc4)cc2)CC3)CC1
InChIInChI=1S/C28H31N3O2/c1-30-15-17-31(18-16-30)27-4-2-3-22-9-12-24(19-26(22)27)29-28(33)23-7-5-20(6-8-23)21-10-13-25(32)14-11-21/h2-8,10-11,13-14,24,32H,9,12,15-19H2,1H3,(H,29,33)
InChIKeyYKDQCDUROQIJOK-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.10
Rot. Bonds4

About 4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (PubChem CID 18475734) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
PubChem CID18475734
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESCN1CCN(c2cccc3c2CC(NC(=O)c2ccc(-c4ccc(O)cc4)cc2)CC3)CC1
InChIInChI=1S/C28H31N3O2/c1-30-15-17-31(18-16-30)27-4-2-3-22-9-12-24(19-26(22)27)29-28(33)23-7-5-20(6-8-23)21-10-13-25(32)14-11-21/h2-8,10-11,13-14,24,32H,9,12,15-19H2,1H3,(H,29,33)
InChIKeyYKDQCDUROQIJOK-UHFFFAOYSA-N
XLogP4.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 54131278
N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide
CID 54551314
[4-[[(2S)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoyl]phenyl] trifluoromethanesulfonate
CID 25055227
2-methyl-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18475786
2-methyl-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 54135218
N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide
CID 54468521
N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide
CID 74422312
6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 74421931
N-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide
CID 18475701
4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18622549
methyl 4-[7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine-1-carboxylate
CID 54547751
N-[8-[(2R)-2-methylpiperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-oxopiperidin-1-yl)benzamide
CID 22082732

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The IUPAC name of 4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (CID 18475734) is 4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The canonical SMILES for 4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is CN1CCN(c2cccc3c2CC(NC(=O)c2ccc(-c4ccc(O)cc4)cc2)CC3)CC1.
What is the InChIKey of 4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The InChIKey is YKDQCDUROQIJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-30-15-17-31(18-16-30)27-4-2-3-22-9-12-24(19-26(22)27)29-28(33)23-7-5-20(6-8-23)21-10-13-25(32)14-11-21/h2-8,10-11,13-14,24,32H,9,12,15-19H2,1H3,(H,29,33).
What are the key properties of 4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide has a molecular weight of 441.58 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 18475734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).