2-(3-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide

C15H21N3OS — CID 102958014

IUPAC2-(3-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
SMILESCOC1CCCN(c2nc3c(cc2C(N)=S)CCC3)C1
InChIInChI=1S/C15H21N3OS/c1-19-11-5-3-7-18(9-11)15-12(14(16)20)8-10-4-2-6-13(10)17-15/h8,11H,2-7,9H2,1H3,(H2,16,20)
InChIKeyQEBQLNXNTOBVEC-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.82
Rot. Bonds3

About 2-(3-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide

2-(3-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide (PubChem CID 102958014) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-(3-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(3-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
PubChem CID102958014
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-(3-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
SMILESCOC1CCCN(c2nc3c(cc2C(N)=S)CCC3)C1
InChIInChI=1S/C15H21N3OS/c1-19-11-5-3-7-18(9-11)15-12(14(16)20)8-10-4-2-6-13(10)17-15/h8,11H,2-7,9H2,1H3,(H2,16,20)
InChIKeyQEBQLNXNTOBVEC-UHFFFAOYSA-N
XLogP1.82
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 115559948
2-(4-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702679
2-(1,4-oxazepan-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 55152771
2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 169264402
2-[(2-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 62087527
2-(2-methyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 63605925
N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 77135913
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 115562370
2-(oxetan-3-yloxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 102606356
4-(3-methoxypiperidin-1-yl)quinoline-3-carbothioamide
CID 102957995
2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 86283103
2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 103533634

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
The IUPAC name of 2-(3-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide (CID 102958014) is 2-(3-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide.
What is the SMILES notation for 2-(3-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
The canonical SMILES for 2-(3-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide is COC1CCCN(c2nc3c(cc2C(N)=S)CCC3)C1.
What is the InChIKey of 2-(3-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
The InChIKey is QEBQLNXNTOBVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-19-11-5-3-7-18(9-11)15-12(14(16)20)8-10-4-2-6-13(10)17-15/h8,11H,2-7,9H2,1H3,(H2,16,20).
What are the key properties of 2-(3-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
2-(3-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide has a molecular weight of 291.42 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide is sourced from PubChem (CID 102958014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).