N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-xanthene-9-carboxamide

C28H31N3O4 — CID 141363455

IUPACN-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-xanthene-9-carboxamide
SMILESCOc1ccccc1N1CCN(CC(O)CNC(=O)C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C28H31N3O4/c1-34-26-13-7-4-10-23(26)31-16-14-30(15-17-31)19-20(32)18-29-28(33)27-21-8-2-5-11-24(21)35-25-12-6-3-9-22(25)27/h2-13,20,27,32H,14-19H2,1H3,(H,29,33)
InChIKeyQEQNKGOWSSYUMD-UHFFFAOYSA-N
MW473.57 g/mol
LogP3.23
Rot. Bonds7

About N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-xanthene-9-carboxamide

N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-xanthene-9-carboxamide (PubChem CID 141363455) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-xanthene-9-carboxamide
PubChem CID141363455
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC NameN-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-xanthene-9-carboxamide
SMILESCOc1ccccc1N1CCN(CC(O)CNC(=O)C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C28H31N3O4/c1-34-26-13-7-4-10-23(26)31-16-14-30(15-17-31)19-20(32)18-29-28(33)27-21-8-2-5-11-24(21)35-25-12-6-3-9-22(25)27/h2-13,20,27,32H,14-19H2,1H3,(H,29,33)
InChIKeyQEQNKGOWSSYUMD-UHFFFAOYSA-N
XLogP3.23
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(dimethylamino)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 18714192
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 20535825
N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide
CID 94100172
N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 669612
5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide
CID 141363452
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697
4-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 13304413
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid
CID 19433569
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 2867285
1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol
CID 3750873

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-xanthene-9-carboxamide (CID 141363455) is N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-xanthene-9-carboxamide is COc1ccccc1N1CCN(CC(O)CNC(=O)C2c3ccccc3Oc3ccccc32)CC1.
What is the InChIKey of N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-xanthene-9-carboxamide?
The InChIKey is QEQNKGOWSSYUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-34-26-13-7-4-10-23(26)31-16-14-30(15-17-31)19-20(32)18-29-28(33)27-21-8-2-5-11-24(21)35-25-12-6-3-9-22(25)27/h2-13,20,27,32H,14-19H2,1H3,(H,29,33).
What are the key properties of N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-xanthene-9-carboxamide?
N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-xanthene-9-carboxamide has a molecular weight of 473.57 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 141363455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).