3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C14H27N3O3S — CID 103801482

IUPAC3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCSC(CO)C(C)NC(=O)C1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C14H27N3O3S/c1-10(12(9-18)21-4)15-13(19)11-6-5-7-17(8-11)14(20)16(2)3/h10-12,18H,5-9H2,1-4H3,(H,15,19)
InChIKeyXLVWKNNRFPYZQN-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.61
Rot. Bonds5

About 3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 103801482) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is 3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID103801482
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCSC(CO)C(C)NC(=O)C1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C14H27N3O3S/c1-10(12(9-18)21-4)15-13(19)11-6-5-7-17(8-11)14(20)16(2)3/h10-12,18H,5-9H2,1-4H3,(H,15,19)
InChIKeyXLVWKNNRFPYZQN-UHFFFAOYSA-N
XLogP0.61
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide with MolForge

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Related Compounds

1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
CID 103801448
3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756324
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid
CID 61243104
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 43630634
3-(hydrazinecarbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 43348977
3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756437
methyl 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate
CID 75372384
1-(azepan-1-yl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]ethanone
CID 114151959
3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 60756295
1-cyclopentyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 103799013
(3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 51956555
3-N-[(3-hydroxycyclobutyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 66004333

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 103801482) is 3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is CSC(CO)C(C)NC(=O)C1CCCN(C(=O)N(C)C)C1.
What is the InChIKey of 3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is XLVWKNNRFPYZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-10(12(9-18)21-4)15-13(19)11-6-5-7-17(8-11)14(20)16(2)3/h10-12,18H,5-9H2,1-4H3,(H,15,19).
What are the key properties of 3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide has a molecular weight of 317.46 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 103801482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).