6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one

C24H27N3O2S — CID 148501492

IUPAC6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
SMILESO=C(CCCCCC1CCN(C(=O)c2cccnc2)CC1)c1cc2ccncc2s1
InChIInChI=1S/C24H27N3O2S/c28-21(22-15-19-8-12-26-17-23(19)30-22)7-3-1-2-5-18-9-13-27(14-10-18)24(29)20-6-4-11-25-16-20/h4,6,8,11-12,15-18H,1-3,5,7,9-10,13-14H2
InChIKeyMKSSISFVNXRCHO-UHFFFAOYSA-N
MW421.57 g/mol
LogP5.38
Rot. Bonds8

About 6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one

6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one (PubChem CID 148501492) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one.

Molecular Properties

Compound Name6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
PubChem CID148501492
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
SMILESO=C(CCCCCC1CCN(C(=O)c2cccnc2)CC1)c1cc2ccncc2s1
InChIInChI=1S/C24H27N3O2S/c28-21(22-15-19-8-12-26-17-23(19)30-22)7-3-1-2-5-18-9-13-27(14-10-18)24(29)20-6-4-11-25-16-20/h4,6,8,11-12,15-18H,1-3,5,7,9-10,13-14H2
InChIKeyMKSSISFVNXRCHO-UHFFFAOYSA-N
XLogP5.38
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
CID 158197684
6-[1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
CID 147985860
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 70983195
6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one
CID 146900863
N-[4-[1-(furo[2,3-c]pyridine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90381466
N-[4-[1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90381302
N-[4-[1-[4-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 140651901
N-[4-[1-(5-propan-2-ylpyridine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 70983527
5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one
CID 114191877
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190

Frequently Asked Questions

What is the IUPAC name of 6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one?
The IUPAC name of 6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one (CID 148501492) is 6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one.
What is the SMILES notation for 6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one?
The canonical SMILES for 6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one is O=C(CCCCCC1CCN(C(=O)c2cccnc2)CC1)c1cc2ccncc2s1.
What is the InChIKey of 6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one?
The InChIKey is MKSSISFVNXRCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c28-21(22-15-19-8-12-26-17-23(19)30-22)7-3-1-2-5-18-9-13-27(14-10-18)24(29)20-6-4-11-25-16-20/h4,6,8,11-12,15-18H,1-3,5,7,9-10,13-14H2.
What are the key properties of 6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one?
6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one has a molecular weight of 421.57 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one is sourced from PubChem (CID 148501492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).