N-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide

C18H22N4O4S — CID 136579408

IUPACN-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(NC(=O)c3ccsc3)CC2)c(OC)n1
InChIInChI=1S/C18H22N4O4S/c1-25-15-4-3-14(17(21-15)26-2)20-18(24)22-8-5-13(6-9-22)19-16(23)12-7-10-27-11-12/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyWUEQANQNMAZYJR-UHFFFAOYSA-N
MW390.47 g/mol
LogP2.59
Rot. Bonds5

About N-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide

N-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide (PubChem CID 136579408) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
PubChem CID136579408
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(NC(=O)c3ccsc3)CC2)c(OC)n1
InChIInChI=1S/C18H22N4O4S/c1-25-15-4-3-14(17(21-15)26-2)20-18(24)22-8-5-13(6-9-22)19-16(23)12-7-10-27-11-12/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyWUEQANQNMAZYJR-UHFFFAOYSA-N
XLogP2.59
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 133273038
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
CID 95107609
N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
CID 75463503
N-(2-fluorophenyl)-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 3218434
N-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 51092675
6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182545
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752077
N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578028
N-(2,6-dimethoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 118763053
N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578368

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide?
The IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide (CID 136579408) is N-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(NC(=O)c3ccsc3)CC2)c(OC)n1.
What is the InChIKey of N-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide?
The InChIKey is WUEQANQNMAZYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-25-15-4-3-14(17(21-15)26-2)20-18(24)22-8-5-13(6-9-22)19-16(23)12-7-10-27-11-12/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide?
N-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 136579408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).