2-(3-piperidin-1-ylpropoxy)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C19H31N3O2S — CID 24960541

IUPAC2-(3-piperidin-1-ylpropoxy)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC(C)NC(=O)N1CCc2sc(OCCCN3CCCCC3)cc2C1
InChIInChI=1S/C19H31N3O2S/c1-15(2)20-19(23)22-11-7-17-16(14-22)13-18(25-17)24-12-6-10-21-8-4-3-5-9-21/h13,15H,3-12,14H2,1-2H3,(H,20,23)
InChIKeyMNDZEOXUPLAOPV-UHFFFAOYSA-N
MW365.54 g/mol
LogP3.48
Rot. Bonds6

About 2-(3-piperidin-1-ylpropoxy)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

2-(3-piperidin-1-ylpropoxy)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 24960541) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylpropoxy)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-(3-piperidin-1-ylpropoxy)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID24960541
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name2-(3-piperidin-1-ylpropoxy)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC(C)NC(=O)N1CCc2sc(OCCCN3CCCCC3)cc2C1
InChIInChI=1S/C19H31N3O2S/c1-15(2)20-19(23)22-11-7-17-16(14-22)13-18(25-17)24-12-6-10-21-8-4-3-5-9-21/h13,15H,3-12,14H2,1-2H3,(H,20,23)
InChIKeyMNDZEOXUPLAOPV-UHFFFAOYSA-N
XLogP3.48
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 24962371
1-[2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one
CID 24962736
5-methylsulfonyl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 67026187
6-(4-methylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 24947409
3,3-dimethyl-4-[2-(3-pyrrolidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]butanal
CID 87455027
6-(4-ethylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 24947596
3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686707
3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 82070469
(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate
CID 118203485
tert-butyl 7-(4-piperidin-1-ylbutoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 59640456
1-[3-methyl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one
CID 24962009
(7-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone;hydrochloride
CID 68963945

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylpropoxy)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of 2-(3-piperidin-1-ylpropoxy)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 24960541) is 2-(3-piperidin-1-ylpropoxy)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-(3-piperidin-1-ylpropoxy)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for 2-(3-piperidin-1-ylpropoxy)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CC(C)NC(=O)N1CCc2sc(OCCCN3CCCCC3)cc2C1.
What is the InChIKey of 2-(3-piperidin-1-ylpropoxy)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is MNDZEOXUPLAOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-15(2)20-19(23)22-11-7-17-16(14-22)13-18(25-17)24-12-6-10-21-8-4-3-5-9-21/h13,15H,3-12,14H2,1-2H3,(H,20,23).
What are the key properties of 2-(3-piperidin-1-ylpropoxy)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
2-(3-piperidin-1-ylpropoxy)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 365.54 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylpropoxy)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 24960541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).