4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide

C12H23N3O2 — CID 116844613

IUPAC4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide
SMILESCN1CCCC(C2(C(=O)NN)CCOCC2)C1
InChIInChI=1S/C12H23N3O2/c1-15-6-2-3-10(9-15)12(11(16)14-13)4-7-17-8-5-12/h10H,2-9,13H2,1H3,(H,14,16)
InChIKeyPGGRSIBSMFEKAV-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.11
Rot. Bonds2

About 4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide

4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide (PubChem CID 116844613) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide.

Molecular Properties

Compound Name4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide
PubChem CID116844613
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide
SMILESCN1CCCC(C2(C(=O)NN)CCOCC2)C1
InChIInChI=1S/C12H23N3O2/c1-15-6-2-3-10(9-15)12(11(16)14-13)4-7-17-8-5-12/h10H,2-9,13H2,1H3,(H,14,16)
InChIKeyPGGRSIBSMFEKAV-UHFFFAOYSA-N
XLogP0.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid
CID 82407097
1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone
CID 116873792
1-(1-methylpiperidin-3-yl)cyclobutan-1-ol
CID 115073858
ethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 91609044
4-carbamothioyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxane-4-carboxamide
CID 106023728
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
3-amino-N-methyl-N-(1-methylpiperidin-3-yl)oxolane-3-carboxamide
CID 64892393
1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698
1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 55035175
4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide
CID 115295108
2-methyl-1-(1-methylpiperidin-3-yl)cyclopropan-1-amine
CID 84653235
1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
CID 95228987

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide?
The IUPAC name of 4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide (CID 116844613) is 4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide.
What is the SMILES notation for 4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide?
The canonical SMILES for 4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide is CN1CCCC(C2(C(=O)NN)CCOCC2)C1.
What is the InChIKey of 4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide?
The InChIKey is PGGRSIBSMFEKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-15-6-2-3-10(9-15)12(11(16)14-13)4-7-17-8-5-12/h10H,2-9,13H2,1H3,(H,14,16).
What are the key properties of 4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide?
4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide has a molecular weight of 241.33 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide is sourced from PubChem (CID 116844613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).