N-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide

C20H27N3O3S — CID 49351109

IUPACN-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(C(=O)CCC(=O)N2CCc3sccc3C2)C1
InChIInChI=1S/C20H27N3O3S/c24-18(22-9-1-2-15(13-22)20(26)21-16-3-4-16)5-6-19(25)23-10-7-17-14(12-23)8-11-27-17/h8,11,15-16H,1-7,9-10,12-13H2,(H,21,26)
InChIKeyIFDPVGVSJVYQBA-UHFFFAOYSA-N
MW389.52 g/mol
LogP1.93
Rot. Bonds5

About N-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide

N-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide (PubChem CID 49351109) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide
PubChem CID49351109
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(C(=O)CCC(=O)N2CCc3sccc3C2)C1
InChIInChI=1S/C20H27N3O3S/c24-18(22-9-1-2-15(13-22)20(26)21-16-3-4-16)5-6-19(25)23-10-7-17-14(12-23)8-11-27-17/h8,11,15-16H,1-7,9-10,12-13H2,(H,21,26)
InChIKeyIFDPVGVSJVYQBA-UHFFFAOYSA-N
XLogP1.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[3-(methylaminomethyl)piperidin-1-yl]butane-1,4-dione
CID 119397234
1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine
CID 111098035
2-(cyclohexylamino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 43388465
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butane-1,4-dione
CID 146084705
1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-cyclopropylpiperidine-3-carboxamide
CID 49403974
4-(azepane-1-carbonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidine-1-carboxamide
CID 86882077
1-[2-(aminomethyl)piperidin-1-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione
CID 119468271
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione;hydrochloride
CID 119623873
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
CID 51121033
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butane-1,4-dione
CID 86890818
N-cyclopropyl-4-[[cyclopropyl-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]methyl]benzamide
CID 55870867
2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190884

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide (CID 49351109) is N-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide is O=C(NC1CC1)C1CCCN(C(=O)CCC(=O)N2CCc3sccc3C2)C1.
What is the InChIKey of N-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide?
The InChIKey is IFDPVGVSJVYQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c24-18(22-9-1-2-15(13-22)20(26)21-16-3-4-16)5-6-19(25)23-10-7-17-14(12-23)8-11-27-17/h8,11,15-16H,1-7,9-10,12-13H2,(H,21,26).
What are the key properties of N-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide?
N-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 49351109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).