5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole

C23H28N2O2S — CID 113088100

IUPAC5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole
SMILESCc1ccc2[nH]c(C3CCN(S(=O)(=O)CCCc4ccccc4)CC3)cc2c1
InChIInChI=1S/C23H28N2O2S/c1-18-9-10-22-21(16-18)17-23(24-22)20-11-13-25(14-12-20)28(26,27)15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,16-17,20,24H,5,8,11-15H2,1H3
InChIKeyOEHAMEWMJKIBSM-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.62
Rot. Bonds6

About 5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole

5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole (PubChem CID 113088100) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is 5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole
PubChem CID113088100
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC Name5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole
SMILESCc1ccc2[nH]c(C3CCN(S(=O)(=O)CCCc4ccccc4)CC3)cc2c1
InChIInChI=1S/C23H28N2O2S/c1-18-9-10-22-21(16-18)17-23(24-22)20-11-13-25(14-12-20)28(26,27)15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,16-17,20,24H,5,8,11-15H2,1H3
InChIKeyOEHAMEWMJKIBSM-UHFFFAOYSA-N
XLogP4.62
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
CID 113088043
2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole
CID 113088698
1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine
CID 110725489
2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole
CID 113088700
1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
CID 110819016
5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113088284
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110324721
2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326607
1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine
CID 110708725
4-(3-phenylpropylsulfonyl)morpholine
CID 560201
1-benzyl-4-(3-phenylpropylsulfonyl)piperazine
CID 113073931
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088702

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole?
The IUPAC name of 5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole (CID 113088100) is 5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole.
What is the SMILES notation for 5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole?
The canonical SMILES for 5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole is Cc1ccc2[nH]c(C3CCN(S(=O)(=O)CCCc4ccccc4)CC3)cc2c1.
What is the InChIKey of 5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole?
The InChIKey is OEHAMEWMJKIBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-18-9-10-22-21(16-18)17-23(24-22)20-11-13-25(14-12-20)28(26,27)15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,16-17,20,24H,5,8,11-15H2,1H3.
What are the key properties of 5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole?
5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole has a molecular weight of 396.56 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole is sourced from PubChem (CID 113088100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).