1-[2-[(1-benzylpiperidin-3-yl)-propylamino]acetyl]-2,3-dihydroindole-5-sulfonamide

C25H34N4O3S — CID 60617010

IUPAC1-[2-[(1-benzylpiperidin-3-yl)-propylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCCN(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C25H34N4O3S/c1-2-13-28(22-9-6-14-27(18-22)17-20-7-4-3-5-8-20)19-25(30)29-15-12-21-16-23(33(26,31)32)10-11-24(21)29/h3-5,7-8,10-11,16,22H,2,6,9,12-15,17-19H2,1H3,(H2,26,31,32)
InChIKeySWBPQKRFIXSSSG-UHFFFAOYSA-N
MW470.64 g/mol
LogP2.60
Rot. Bonds8

About 1-[2-[(1-benzylpiperidin-3-yl)-propylamino]acetyl]-2,3-dihydroindole-5-sulfonamide

1-[2-[(1-benzylpiperidin-3-yl)-propylamino]acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 60617010) has the molecular formula C25H34N4O3S and a molecular weight of 470.64 g/mol. Its IUPAC name is 1-[2-[(1-benzylpiperidin-3-yl)-propylamino]acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-[(1-benzylpiperidin-3-yl)-propylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID60617010
Molecular FormulaC25H34N4O3S
Molecular Weight470.64 g/mol
Exact Mass470.24
IUPAC Name1-[2-[(1-benzylpiperidin-3-yl)-propylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCCN(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C25H34N4O3S/c1-2-13-28(22-9-6-14-27(18-22)17-20-7-4-3-5-8-20)19-25(30)29-15-12-21-16-23(33(26,31)32)10-11-24(21)29/h3-5,7-8,10-11,16,22H,2,6,9,12-15,17-19H2,1H3,(H2,26,31,32)
InChIKeySWBPQKRFIXSSSG-UHFFFAOYSA-N
XLogP2.60
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[benzyl(1-cyclopropylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 46402686
1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 31539906
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55850896
1-[2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 16576253
1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 119932761
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
CID 119857622
N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
CID 43926350
2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol
CID 66565042
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-benzylpiperidin-3-yl)-propylamino]acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-[(1-benzylpiperidin-3-yl)-propylamino]acetyl]-2,3-dihydroindole-5-sulfonamide (CID 60617010) is 1-[2-[(1-benzylpiperidin-3-yl)-propylamino]acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-[(1-benzylpiperidin-3-yl)-propylamino]acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-[(1-benzylpiperidin-3-yl)-propylamino]acetyl]-2,3-dihydroindole-5-sulfonamide is CCCN(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-[2-[(1-benzylpiperidin-3-yl)-propylamino]acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is SWBPQKRFIXSSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3S/c1-2-13-28(22-9-6-14-27(18-22)17-20-7-4-3-5-8-20)19-25(30)29-15-12-21-16-23(33(26,31)32)10-11-24(21)29/h3-5,7-8,10-11,16,22H,2,6,9,12-15,17-19H2,1H3,(H2,26,31,32).
What are the key properties of 1-[2-[(1-benzylpiperidin-3-yl)-propylamino]acetyl]-2,3-dihydroindole-5-sulfonamide?
1-[2-[(1-benzylpiperidin-3-yl)-propylamino]acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 470.64 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-benzylpiperidin-3-yl)-propylamino]acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 60617010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).