4-cyano-N-piperidin-1-yloxane-4-carboxamide

C12H19N3O2 — CID 82843101

IUPAC4-cyano-N-piperidin-1-yloxane-4-carboxamide
SMILESN#CC1(C(=O)NN2CCCCC2)CCOCC1
InChIInChI=1S/C12H19N3O2/c13-10-12(4-8-17-9-5-12)11(16)14-15-6-2-1-3-7-15/h1-9H2,(H,14,16)
InChIKeyJMMVGKUIABKEDE-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.82
Rot. Bonds2

About 4-cyano-N-piperidin-1-yloxane-4-carboxamide

4-cyano-N-piperidin-1-yloxane-4-carboxamide (PubChem CID 82843101) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-cyano-N-piperidin-1-yloxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-piperidin-1-yloxane-4-carboxamide
PubChem CID82843101
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-cyano-N-piperidin-1-yloxane-4-carboxamide
SMILESN#CC1(C(=O)NN2CCCCC2)CCOCC1
InChIInChI=1S/C12H19N3O2/c13-10-12(4-8-17-9-5-12)11(16)14-15-6-2-1-3-7-15/h1-9H2,(H,14,16)
InChIKeyJMMVGKUIABKEDE-UHFFFAOYSA-N
XLogP0.82
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(4-methylpiperazin-1-yl)cyclopropane-1-carboxamide
CID 83017101
4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide
CID 115619309
4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide
CID 65043131
4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide
CID 103737393
4-cyano-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide
CID 103750220
4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide
CID 103722107
4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide
CID 113234659
4-cyano-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-4-carboxamide
CID 79362624
4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102906074
1-(piperidin-1-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 83023113
1-amino-N-piperidin-1-ylcyclobutane-1-carboxamide
CID 83022067
4-[[(4-cyanooxane-4-carbonyl)amino]methyl]benzoic acid
CID 99038411

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-piperidin-1-yloxane-4-carboxamide?
The IUPAC name of 4-cyano-N-piperidin-1-yloxane-4-carboxamide (CID 82843101) is 4-cyano-N-piperidin-1-yloxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-piperidin-1-yloxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-piperidin-1-yloxane-4-carboxamide is N#CC1(C(=O)NN2CCCCC2)CCOCC1.
What is the InChIKey of 4-cyano-N-piperidin-1-yloxane-4-carboxamide?
The InChIKey is JMMVGKUIABKEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-10-12(4-8-17-9-5-12)11(16)14-15-6-2-1-3-7-15/h1-9H2,(H,14,16).
What are the key properties of 4-cyano-N-piperidin-1-yloxane-4-carboxamide?
4-cyano-N-piperidin-1-yloxane-4-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-piperidin-1-yloxane-4-carboxamide is sourced from PubChem (CID 82843101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).