N-methoxy-N-[(3R,6S)-6-(methyliminomethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]acetamide

C14H24N6O2 — CID 156834788

IUPACN-methoxy-N-[(3R,6S)-6-(methyliminomethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]acetamide
SMILESC/N=C/[C@@H]1CC[C@@H](N(OC)C(C)=O)CN1Cc1nncn1C
InChIInChI=1S/C14H24N6O2/c1-11(21)20(22-4)13-6-5-12(7-15-2)19(8-13)9-14-17-16-10-18(14)3/h7,10,12-13H,5-6,8-9H2,1-4H3/b15-7+/t12-,13+/m0/s1
InChIKeyZFYMLCQHRBVQHQ-FAXVFLOLSA-N
MW308.39 g/mol
LogP0.26
Rot. Bonds5

About N-methoxy-N-[(3R,6S)-6-(methyliminomethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]acetamide

N-methoxy-N-[(3R,6S)-6-(methyliminomethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]acetamide (PubChem CID 156834788) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-methoxy-N-[(3R,6S)-6-(methyliminomethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methoxy-N-[(3R,6S)-6-(methyliminomethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]acetamide
PubChem CID156834788
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC NameN-methoxy-N-[(3R,6S)-6-(methyliminomethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]acetamide
SMILESC/N=C/[C@@H]1CC[C@@H](N(OC)C(C)=O)CN1Cc1nncn1C
InChIInChI=1S/C14H24N6O2/c1-11(21)20(22-4)13-6-5-12(7-15-2)19(8-13)9-14-17-16-10-18(14)3/h7,10,12-13H,5-6,8-9H2,1-4H3/b15-7+/t12-,13+/m0/s1
InChIKeyZFYMLCQHRBVQHQ-FAXVFLOLSA-N
XLogP0.26
TPSA75.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-[(3R,6S)-6-(methyliminomethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-methoxy-N-[(3R,6S)-6-(methyliminomethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]acetamide (CID 156834788) is N-methoxy-N-[(3R,6S)-6-(methyliminomethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-methoxy-N-[(3R,6S)-6-(methyliminomethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-methoxy-N-[(3R,6S)-6-(methyliminomethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]acetamide is C/N=C/[C@@H]1CC[C@@H](N(OC)C(C)=O)CN1Cc1nncn1C.
What is the InChIKey of N-methoxy-N-[(3R,6S)-6-(methyliminomethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]acetamide?
The InChIKey is ZFYMLCQHRBVQHQ-FAXVFLOLSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-11(21)20(22-4)13-6-5-12(7-15-2)19(8-13)9-14-17-16-10-18(14)3/h7,10,12-13H,5-6,8-9H2,1-4H3/b15-7+/t12-,13+/m0/s1.
What are the key properties of N-methoxy-N-[(3R,6S)-6-(methyliminomethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]acetamide?
N-methoxy-N-[(3R,6S)-6-(methyliminomethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]acetamide has a molecular weight of 308.39 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-[(3R,6S)-6-(methyliminomethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 156834788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).