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

C26H34ClN3O2 — CID 70490777

IUPAC5-(2-hydroxypropan-2-yl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide;hydrochloride
SMILESCc1[nH]c2ccc(C(C)(C)O)cc2c1C(=O)NC1CCN(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C26H33N3O2.ClH/c1-18-24(22-17-20(26(2,3)31)9-10-23(22)27-18)25(30)28-21-12-15-29(16-13-21)14-11-19-7-5-4-6-8-19;/h4-10,17,21,27,31H,11-16H2,1-3H3,(H,28,30);1H
InChIKeyVYHCYWDTAKMCGI-UHFFFAOYSA-N
MW456.03 g/mol
LogP4.56
Rot. Bonds6

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

5-(2-hydroxypropan-2-yl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide;hydrochloride (PubChem CID 70490777) has the molecular formula C26H34ClN3O2 and a molecular weight of 456.03 g/mol. Its IUPAC name is 5-(2-hydroxypropan-2-yl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(2-hydroxypropan-2-yl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide;hydrochloride
PubChem CID70490777
Molecular FormulaC26H34ClN3O2
Molecular Weight456.03 g/mol
Exact Mass455.23
IUPAC Name5-(2-hydroxypropan-2-yl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide;hydrochloride
SMILESCc1[nH]c2ccc(C(C)(C)O)cc2c1C(=O)NC1CCN(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C26H33N3O2.ClH/c1-18-24(22-17-20(26(2,3)31)9-10-23(22)27-18)25(30)28-21-12-15-29(16-13-21)14-11-19-7-5-4-6-8-19;/h4-10,17,21,27,31H,11-16H2,1-3H3,(H,28,30);1H
InChIKeyVYHCYWDTAKMCGI-UHFFFAOYSA-N
XLogP4.56
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.03
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]carbamoyl]-1H-indol-5-yl] acetate
CID 23326408
5-hydroxy-2-methyl-N-[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]-1H-indole-3-carboxamide;hydrochloride
CID 70493345
2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 175649732
N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide
CID 21413261
5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide
CID 13490832
[3-[benzyl-[1-(2-phenylethyl)piperidin-4-yl]carbamoyl]-2-methyl-1H-indol-5-yl] acetate
CID 70491439
2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119844580
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
CID 21413251
4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172912500
2-(4-amino-2,3,5-trimethylphenoxy)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 91038471
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropan-2-yl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide;hydrochloride?
The IUPAC name of 5-(2-hydroxypropan-2-yl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide;hydrochloride (CID 70490777) is 5-(2-hydroxypropan-2-yl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-(2-hydroxypropan-2-yl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-(2-hydroxypropan-2-yl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide;hydrochloride is Cc1[nH]c2ccc(C(C)(C)O)cc2c1C(=O)NC1CCN(CCc2ccccc2)CC1.Cl.
What is the InChIKey of 5-(2-hydroxypropan-2-yl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide;hydrochloride?
The InChIKey is VYHCYWDTAKMCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2.ClH/c1-18-24(22-17-20(26(2,3)31)9-10-23(22)27-18)25(30)28-21-12-15-29(16-13-21)14-11-19-7-5-4-6-8-19;/h4-10,17,21,27,31H,11-16H2,1-3H3,(H,28,30);1H.
What are the key properties of 5-(2-hydroxypropan-2-yl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide;hydrochloride?
5-(2-hydroxypropan-2-yl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide;hydrochloride has a molecular weight of 456.03 g/mol, XLogP of 4.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropan-2-yl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide;hydrochloride is sourced from PubChem (CID 70490777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).