4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

C15H23N5O3S — CID 51118494

IUPAC4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCC1CN(C(=O)C2CCN(C(=O)Nc3nncs3)CC2)CC(C)O1
InChIInChI=1S/C15H23N5O3S/c1-10-7-20(8-11(2)23-10)13(21)12-3-5-19(6-4-12)15(22)17-14-18-16-9-24-14/h9-12H,3-8H2,1-2H3,(H,17,18,22)
InChIKeyUYTZYKSTWRYJHZ-UHFFFAOYSA-N
MW353.45 g/mol
LogP1.42
Rot. Bonds2

About 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 51118494) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
PubChem CID51118494
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC Name4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCC1CN(C(=O)C2CCN(C(=O)Nc3nncs3)CC2)CC(C)O1
InChIInChI=1S/C15H23N5O3S/c1-10-7-20(8-11(2)23-10)13(21)12-3-5-19(6-4-12)15(22)17-14-18-16-9-24-14/h9-12H,3-8H2,1-2H3,(H,17,18,22)
InChIKeyUYTZYKSTWRYJHZ-UHFFFAOYSA-N
XLogP1.42
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 47215175
4-(2-hydroxyethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46994674
(4aR,8aS)-N-(1,3,4-thiadiazol-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 95132756
N-cyclooctyl-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 38289278
(3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 94194613
3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
CID 46995399
3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46997326
4-(2,6-dimethylmorpholine-4-carbonyl)-N-(5-methylhexan-2-yl)piperidine-1-carboxamide
CID 78887959
1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 95975570
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
1-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 51942632
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (CID 51118494) is 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is CC1CN(C(=O)C2CCN(C(=O)Nc3nncs3)CC2)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is UYTZYKSTWRYJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-10-7-20(8-11(2)23-10)13(21)12-3-5-19(6-4-12)15(22)17-14-18-16-9-24-14/h9-12H,3-8H2,1-2H3,(H,17,18,22).
What are the key properties of 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 51118494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).