4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

C14H24N4O2S — CID 46999278

IUPAC4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(C(O)CC(C)C)CC2)n1
InChIInChI=1S/C14H24N4O2S/c1-9(2)8-12(19)11-4-6-18(7-5-11)14(20)16-13-15-10(3)17-21-13/h9,11-12,19H,4-8H2,1-3H3,(H,15,16,17,20)
InChIKeyVVZDEUZFZWMBSP-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.50
Rot. Bonds4

About 4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 46999278) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID46999278
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(C(O)CC(C)C)CC2)n1
InChIInChI=1S/C14H24N4O2S/c1-9(2)8-12(19)11-4-6-18(7-5-11)14(20)16-13-15-10(3)17-21-13/h9,11-12,19H,4-8H2,1-3H3,(H,15,16,17,20)
InChIKeyVVZDEUZFZWMBSP-UHFFFAOYSA-N
XLogP2.50
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46989669
N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 116658033
4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46992089
4-(2-methylphenyl)sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46991492
2-ethyl-4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
CID 46994824
(2S)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104874322
N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
CID 46993854
2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 115976440
4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 126440237
N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide
CID 115661266
3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46991912
N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide
CID 107035956

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 46999278) is 4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is Cc1nsc(NC(=O)N2CCC(C(O)CC(C)C)CC2)n1.
What is the InChIKey of 4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is VVZDEUZFZWMBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-9(2)8-12(19)11-4-6-18(7-5-11)14(20)16-13-15-10(3)17-21-13/h9,11-12,19H,4-8H2,1-3H3,(H,15,16,17,20).
What are the key properties of 4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46999278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).