methyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate

C23H27N3O3 — CID 69444934

IUPACmethyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CCCN2CCN(c3ccccc3O)CC2)c2ccccc12
InChIInChI=1S/C23H27N3O3/c1-29-23(28)19-17-26(20-8-3-2-7-18(19)20)12-6-11-24-13-15-25(16-14-24)21-9-4-5-10-22(21)27/h2-5,7-10,17,27H,6,11-16H2,1H3
InChIKeySMOCJUKKAHTINB-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.35
Rot. Bonds6

About methyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate

methyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate (PubChem CID 69444934) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is methyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate
PubChem CID69444934
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Namemethyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CCCN2CCN(c3ccccc3O)CC2)c2ccccc12
InChIInChI=1S/C23H27N3O3/c1-29-23(28)19-17-26(20-8-3-2-7-18(19)20)12-6-11-24-13-15-25(16-14-24)21-9-4-5-10-22(21)27/h2-5,7-10,17,27H,6,11-16H2,1H3
InChIKeySMOCJUKKAHTINB-UHFFFAOYSA-N
XLogP3.35
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate 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

methyl 1-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propyl]indole-3-carboxylate
CID 69446151
methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate
CID 58875117
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
methyl 2-(4-ethylpiperazin-1-yl)benzoate
CID 99973041
2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol
CID 122157490
ethyl 4-[3-[4-amino-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]benzoyl]indol-1-yl]butanoate;hydrochloride
CID 21197992
1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 23641881
methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate
CID 654649
3-methyl-1-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-1-one
CID 58967788
methyl 4-hydroxy-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]benzoate
CID 139690579
4-[3-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4-(1-phenylethylamino)benzoyl]indol-1-yl]butanoic acid
CID 15513838

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate (CID 69444934) is methyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate is COC(=O)c1cn(CCCN2CCN(c3ccccc3O)CC2)c2ccccc12.
What is the InChIKey of methyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate?
The InChIKey is SMOCJUKKAHTINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-29-23(28)19-17-26(20-8-3-2-7-18(19)20)12-6-11-24-13-15-25(16-14-24)21-9-4-5-10-22(21)27/h2-5,7-10,17,27H,6,11-16H2,1H3.
What are the key properties of methyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate?
methyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate has a molecular weight of 393.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate is sourced from PubChem (CID 69444934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).