(3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C15H25N5O4 — CID 97188441

IUPAC(3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCOCc1noc(CCNC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)n1
InChIInChI=1S/C15H25N5O4/c1-19(2)15(22)20-8-4-5-11(9-20)14(21)16-7-6-13-17-12(10-23-3)18-24-13/h11H,4-10H2,1-3H3,(H,16,21)/t11-/m0/s1
InChIKeyMTKSECHMTIWSLI-NSHDSACASA-N
MW339.40 g/mol
LogP0.27
Rot. Bonds6

About (3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

(3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 97188441) has the molecular formula C15H25N5O4 and a molecular weight of 339.40 g/mol. Its IUPAC name is (3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID97188441
Molecular FormulaC15H25N5O4
Molecular Weight339.40 g/mol
Exact Mass339.19
IUPAC Name(3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCOCc1noc(CCNC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)n1
InChIInChI=1S/C15H25N5O4/c1-19(2)15(22)20-8-4-5-11(9-20)14(21)16-7-6-13-17-12(10-23-3)18-24-13/h11H,4-10H2,1-3H3,(H,16,21)/t11-/m0/s1
InChIKeyMTKSECHMTIWSLI-NSHDSACASA-N
XLogP0.27
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97193869
(3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide
CID 97155010
1-N,1-N-dimethyl-3-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72857111
(3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97207686
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
(3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94178642
(3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 99939916
(3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94857964
(3S)-3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97200908
1-cyclopentyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 72879168
1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide
CID 115628009
(3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide
CID 97193249

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 97188441) is (3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is COCc1noc(CCNC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)n1.
What is the InChIKey of (3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is MTKSECHMTIWSLI-NSHDSACASA-N. The full InChI is InChI=1S/C15H25N5O4/c1-19(2)15(22)20-8-4-5-11(9-20)14(21)16-7-6-13-17-12(10-23-3)18-24-13/h11H,4-10H2,1-3H3,(H,16,21)/t11-/m0/s1.
What are the key properties of (3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
(3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide has a molecular weight of 339.40 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 97188441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).