6-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one

C24H29N3O3S — CID 162300880

IUPAC6-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one
SMILESO=C(CCCCCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc2cnccc2[nH]1
InChIInChI=1S/C24H29N3O3S/c28-24(23-17-20-18-25-14-11-22(20)26-23)10-6-1-3-7-19-12-15-27(16-13-19)31(29,30)21-8-4-2-5-9-21/h2,4-5,8-9,11,14,17-19,26H,1,3,6-7,10,12-13,15-16H2
InChIKeyUFXPMTTWZADYDL-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.80
Rot. Bonds9

About 6-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one

6-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one (PubChem CID 162300880) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 6-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one.

Molecular Properties

Compound Name6-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one
PubChem CID162300880
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name6-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one
SMILESO=C(CCCCCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc2cnccc2[nH]1
InChIInChI=1S/C24H29N3O3S/c28-24(23-17-20-18-25-14-11-22(20)26-23)10-6-1-3-7-19-12-15-27(16-13-19)31(29,30)21-8-4-2-5-9-21/h2,4-5,8-9,11,14,17-19,26H,1,3,6-7,10,12-13,15-16H2
InChIKeyUFXPMTTWZADYDL-UHFFFAOYSA-N
XLogP4.80
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one 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

N-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 70983957
3-[4-(cyclohexylmethylsulfonyl)phenyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)propan-1-one
CID 157125741
N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 126510184
N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 70984090
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 157399723
N-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide
CID 18425754
4-[4-(pyridin-3-ylmethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 166213016
2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid
CID 63877172
N-hydroxy-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 11848948
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]benzene-1,3-dicarboxylic acid
CID 174517667
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554

Frequently Asked Questions

What is the IUPAC name of 6-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one?
The IUPAC name of 6-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one (CID 162300880) is 6-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one.
What is the SMILES notation for 6-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one?
The canonical SMILES for 6-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one is O=C(CCCCCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc2cnccc2[nH]1.
What is the InChIKey of 6-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one?
The InChIKey is UFXPMTTWZADYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c28-24(23-17-20-18-25-14-11-22(20)26-23)10-6-1-3-7-19-12-15-27(16-13-19)31(29,30)21-8-4-2-5-9-21/h2,4-5,8-9,11,14,17-19,26H,1,3,6-7,10,12-13,15-16H2.
What are the key properties of 6-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one?
6-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one has a molecular weight of 439.58 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one is sourced from PubChem (CID 162300880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).