6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone

C22H28N2OS — CID 171995878

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(CCCc2ccccc2)CC1)N1CCc2sccc2C1
InChIInChI=1S/C22H28N2OS/c25-22(24-15-10-21-20(17-24)11-16-26-21)19-8-13-23(14-9-19)12-4-7-18-5-2-1-3-6-18/h1-3,5-6,11,16,19H,4,7-10,12-15,17H2
InChIKeyNPCPHCVFFRDRPZ-UHFFFAOYSA-N
MW368.55 g/mol
LogP3.98
Rot. Bonds5

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone (PubChem CID 171995878) has the molecular formula C22H28N2OS and a molecular weight of 368.55 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone
PubChem CID171995878
Molecular FormulaC22H28N2OS
Molecular Weight368.55 g/mol
Exact Mass368.19
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(CCCc2ccccc2)CC1)N1CCc2sccc2C1
InChIInChI=1S/C22H28N2OS/c25-22(24-15-10-21-20(17-24)11-16-26-21)19-8-13-23(14-9-19)12-4-7-18-5-2-1-3-6-18/h1-3,5-6,11,16,19H,4,7-10,12-15,17H2
InChIKeyNPCPHCVFFRDRPZ-UHFFFAOYSA-N
XLogP3.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 52551128
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone
CID 171995342
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 56812849
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 18142476
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(4-hydroxypiperidin-1-yl)propan-1-one
CID 47314056
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
(5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 42198640
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119700115
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 95145172
N,N-diethyl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 795749
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-pyrrolidin-1-ylethylamino)ethanone
CID 60711035
2-[(2R)-2-benzylpyrrolidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 32665629

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone (CID 171995878) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone is O=C(C1CCN(CCCc2ccccc2)CC1)N1CCc2sccc2C1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone?
The InChIKey is NPCPHCVFFRDRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2OS/c25-22(24-15-10-21-20(17-24)11-16-26-21)19-8-13-23(14-9-19)12-4-7-18-5-2-1-3-6-18/h1-3,5-6,11,16,19H,4,7-10,12-15,17H2.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone has a molecular weight of 368.55 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone is sourced from PubChem (CID 171995878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).