5-hydroxy-2-methyl-N-[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]-1H-indole-3-carboxamide;hydrochloride

C29H32ClN3O2 — CID 70493345

IUPAC5-hydroxy-2-methyl-N-[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]-1H-indole-3-carboxamide;hydrochloride
SMILESCc1[nH]c2ccc(O)cc2c1C(=O)Nc1ccccc1C1CCN(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C29H31N3O2.ClH/c1-20-28(25-19-23(33)11-12-27(25)30-20)29(34)31-26-10-6-5-9-24(26)22-14-17-32(18-15-22)16-13-21-7-3-2-4-8-21;/h2-12,19,22,30,33H,13-18H2,1H3,(H,31,34);1H
InChIKeyOWYHPYSBZWNSSL-UHFFFAOYSA-N
MW490.05 g/mol
LogP6.28
Rot. Bonds6

About 5-hydroxy-2-methyl-N-[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]-1H-indole-3-carboxamide;hydrochloride

5-hydroxy-2-methyl-N-[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]-1H-indole-3-carboxamide;hydrochloride (PubChem CID 70493345) has the molecular formula C29H32ClN3O2 and a molecular weight of 490.05 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-N-[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]-1H-indole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-hydroxy-2-methyl-N-[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]-1H-indole-3-carboxamide;hydrochloride
PubChem CID70493345
Molecular FormulaC29H32ClN3O2
Molecular Weight490.05 g/mol
Exact Mass489.22
IUPAC Name5-hydroxy-2-methyl-N-[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]-1H-indole-3-carboxamide;hydrochloride
SMILESCc1[nH]c2ccc(O)cc2c1C(=O)Nc1ccccc1C1CCN(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C29H31N3O2.ClH/c1-20-28(25-19-23(33)11-12-27(25)30-20)29(34)31-26-10-6-5-9-24(26)22-14-17-32(18-15-22)16-13-21-7-3-2-4-8-21;/h2-12,19,22,30,33H,13-18H2,1H3,(H,31,34);1H
InChIKeyOWYHPYSBZWNSSL-UHFFFAOYSA-N
XLogP6.28
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.05
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-hydroxy-2-methyl-N-[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]-1H-indole-3-carboxamide;hydrochloride with MolForge

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Related Compounds

5-(2-hydroxypropan-2-yl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide;hydrochloride
CID 70490777
[2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]carbamoyl]-1H-indol-5-yl] acetate
CID 23326408
[3-[benzyl-[1-(2-phenylethyl)piperidin-4-yl]carbamoyl]-2-methyl-1H-indol-5-yl] acetate
CID 70491439
benzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate
CID 10110089
benzyl 5-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-2-methyl-1H-indole-3-carboxylate
CID 10274503
[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]methanol;hydrochloride
CID 70203501
2,3-dihydro-1H-inden-1-yl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate
CID 22311878
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 110849673
4-[2-(4-phenylpiperidin-1-yl)ethyl]phenol
CID 14819324
N-[2-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 67270283
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-N-[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]-1H-indole-3-carboxamide;hydrochloride?
The IUPAC name of 5-hydroxy-2-methyl-N-[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]-1H-indole-3-carboxamide;hydrochloride (CID 70493345) is 5-hydroxy-2-methyl-N-[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]-1H-indole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-hydroxy-2-methyl-N-[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]-1H-indole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-hydroxy-2-methyl-N-[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]-1H-indole-3-carboxamide;hydrochloride is Cc1[nH]c2ccc(O)cc2c1C(=O)Nc1ccccc1C1CCN(CCc2ccccc2)CC1.Cl.
What is the InChIKey of 5-hydroxy-2-methyl-N-[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]-1H-indole-3-carboxamide;hydrochloride?
The InChIKey is OWYHPYSBZWNSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2.ClH/c1-20-28(25-19-23(33)11-12-27(25)30-20)29(34)31-26-10-6-5-9-24(26)22-14-17-32(18-15-22)16-13-21-7-3-2-4-8-21;/h2-12,19,22,30,33H,13-18H2,1H3,(H,31,34);1H.
What are the key properties of 5-hydroxy-2-methyl-N-[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]-1H-indole-3-carboxamide;hydrochloride?
5-hydroxy-2-methyl-N-[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]-1H-indole-3-carboxamide;hydrochloride has a molecular weight of 490.05 g/mol, XLogP of 6.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-N-[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]-1H-indole-3-carboxamide;hydrochloride is sourced from PubChem (CID 70493345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).