(4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone

C25H29N3OS — CID 46396546

IUPAC(4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(c2nccc3sccc23)C1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H29N3OS/c29-25(27-14-9-20(10-15-27)17-19-5-2-1-3-6-19)21-7-4-13-28(18-21)24-22-11-16-30-23(22)8-12-26-24/h1-3,5-6,8,11-12,16,20-21H,4,7,9-10,13-15,17-18H2
InChIKeyXOJXHWYWTAWAAB-UHFFFAOYSA-N
MW419.59 g/mol
LogP4.99
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone

(4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone (PubChem CID 46396546) has the molecular formula C25H29N3OS and a molecular weight of 419.59 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
PubChem CID46396546
Molecular FormulaC25H29N3OS
Molecular Weight419.59 g/mol
Exact Mass419.20
IUPAC Name(4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(c2nccc3sccc23)C1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H29N3OS/c29-25(27-14-9-20(10-15-27)17-19-5-2-1-3-6-19)21-7-4-13-28(18-21)24-22-11-16-30-23(22)8-12-26-24/h1-3,5-6,8,11-12,16,20-21H,4,7,9-10,13-15,17-18H2
InChIKeyXOJXHWYWTAWAAB-UHFFFAOYSA-N
XLogP4.99
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone
CID 163346136
[4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone
CID 92885175
[4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
CID 50839504
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
CID 46396512
1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 172899862
(3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92885146
(3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92899054
(3R)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92899035
(3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92899036
N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 46396524
(4-benzylpiperidin-1-yl)-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-3-yl]methanone
CID 20912384
(4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118392

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone (CID 46396546) is (4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone is O=C(C1CCCN(c2nccc3sccc23)C1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone?
The InChIKey is XOJXHWYWTAWAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3OS/c29-25(27-14-9-20(10-15-27)17-19-5-2-1-3-6-19)21-7-4-13-28(18-21)24-22-11-16-30-23(22)8-12-26-24/h1-3,5-6,8,11-12,16,20-21H,4,7,9-10,13-15,17-18H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone?
(4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone has a molecular weight of 419.59 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone is sourced from PubChem (CID 46396546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).