(2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

C24H30N4O3S — CID 55759909

IUPAC(2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cccnc1N1CCCCC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C24H30N4O3S/c29-24(21-8-7-12-25-23(21)26-13-3-1-4-14-26)28-17-11-19-18-20(9-10-22(19)28)32(30,31)27-15-5-2-6-16-27/h7-10,12,18H,1-6,11,13-17H2
InChIKeyXEQITJAXNPTDTC-UHFFFAOYSA-N
MW454.60 g/mol
LogP3.45
Rot. Bonds4

About (2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

(2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 55759909) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is (2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
PubChem CID55759909
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC Name(2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cccnc1N1CCCCC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C24H30N4O3S/c29-24(21-8-7-12-25-23(21)26-13-3-1-4-14-26)28-17-11-19-18-20(9-10-22(19)28)32(30,31)27-15-5-2-6-16-27/h7-10,12,18H,1-6,11,13-17H2
InChIKeyXEQITJAXNPTDTC-UHFFFAOYSA-N
XLogP3.45
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone 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

(2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17421426
(2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55438542
(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 55604073
furan-2-yl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17416161
4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 55438572
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 45423400
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55438372
2-fluoro-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 167990347
(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17418564
1-bicyclo[1.1.0]butanyl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 167965906
(2-fluoro-4-pyridinyl)-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 52733546
(E)-3-phenyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 55438489

Frequently Asked Questions

What is the IUPAC name of (2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (CID 55759909) is (2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is O=C(c1cccnc1N1CCCCC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of (2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is XEQITJAXNPTDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c29-24(21-8-7-12-25-23(21)26-13-3-1-4-14-26)28-17-11-19-18-20(9-10-22(19)28)32(30,31)27-15-5-2-6-16-27/h7-10,12,18H,1-6,11,13-17H2.
What are the key properties of (2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
(2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 454.60 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 55759909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).