N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide

C18H19N3OS — CID 3335927

IUPACN-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide
SMILESO=C(NC(=S)N1CCCCC1c1cccnc1)c1ccccc1
InChIInChI=1S/C18H19N3OS/c22-17(14-7-2-1-3-8-14)20-18(23)21-12-5-4-10-16(21)15-9-6-11-19-13-15/h1-3,6-9,11,13,16H,4-5,10,12H2,(H,20,22,23)
InChIKeyDMBUIFMXQQFLAB-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.32
Rot. Bonds2

About N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide

N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide (PubChem CID 3335927) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide.

Molecular Properties

Compound NameN-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide
PubChem CID3335927
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide
SMILESO=C(NC(=S)N1CCCCC1c1cccnc1)c1ccccc1
InChIInChI=1S/C18H19N3OS/c22-17(14-7-2-1-3-8-14)20-18(23)21-12-5-4-10-16(21)15-9-6-11-19-13-15/h1-3,6-9,11,13,16H,4-5,10,12H2,(H,20,22,23)
InChIKeyDMBUIFMXQQFLAB-UHFFFAOYSA-N
XLogP3.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Daporinad
CID 6914657
N-Benzoyl-N'-(3-pyridinyl)thiourea
CID 682329
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide
CID 53396328
N-Benzoyl-N'-(2-pyridinyl)thiourea
CID 708470
3-Methyl-n-(1-oxy-3',4',5',6'-tetrahydro-2'h-(2,4'-bipyridine)-1'-ylmethyl)benzamide
CID 16094676
4-methyl-N-[(pyridin-3-ylmethyl)carbamothioyl]benzamide
CID 880827
2-mercapto-3-pyridin-3-ylquinazolin-4(3H)-one
CID 2725832
3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 710792
3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
CID 4123610
4''-(Pyridin-4-ylmethyl)biphenyl-4-carboxamide
CID 46901614
trans-(1R,2R)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76332823
1-(2-Fluoro-benzoyl)-3-pyridin-3-ylmethyl-thiourea
CID 801772

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide?
The IUPAC name of N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide (CID 3335927) is N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide.
What is the SMILES notation for N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide?
The canonical SMILES for N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide is O=C(NC(=S)N1CCCCC1c1cccnc1)c1ccccc1.
What is the InChIKey of N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide?
The InChIKey is DMBUIFMXQQFLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c22-17(14-7-2-1-3-8-14)20-18(23)21-12-5-4-10-16(21)15-9-6-11-19-13-15/h1-3,6-9,11,13,16H,4-5,10,12H2,(H,20,22,23).
What are the key properties of N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide?
N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide has a molecular weight of 325.44 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide is sourced from PubChem (CID 3335927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).