1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C19H22N4O2S — CID 60523156

IUPAC1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nncs1)C1CCN(C(=O)C2CCCc3ccccc32)CC1
InChIInChI=1S/C19H22N4O2S/c24-17(21-19-22-20-12-26-19)14-8-10-23(11-9-14)18(25)16-7-3-5-13-4-1-2-6-15(13)16/h1-2,4,6,12,14,16H,3,5,7-11H2,(H,21,22,24)
InChIKeyLBBFGOSHOODEHX-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.84
Rot. Bonds3

About 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 60523156) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID60523156
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nncs1)C1CCN(C(=O)C2CCCc3ccccc32)CC1
InChIInChI=1S/C19H22N4O2S/c24-17(21-19-22-20-12-26-19)14-8-10-23(11-9-14)18(25)16-7-3-5-13-4-1-2-6-15(13)16/h1-2,4,6,12,14,16H,3,5,7-11H2,(H,21,22,24)
InChIKeyLBBFGOSHOODEHX-UHFFFAOYSA-N
XLogP2.84
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 60523156) is 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nncs1)C1CCN(C(=O)C2CCCc3ccccc32)CC1.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is LBBFGOSHOODEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c24-17(21-19-22-20-12-26-19)14-8-10-23(11-9-14)18(25)16-7-3-5-13-4-1-2-6-15(13)16/h1-2,4,6,12,14,16H,3,5,7-11H2,(H,21,22,24).
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 60523156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).