3-hydroxy-N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]piperidine-4-carboxamide

C16H30N4O3 — CID 153384028

IUPAC3-hydroxy-N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]piperidine-4-carboxamide
SMILESCC1NC(C2CCC(CNC(=O)C3CCNCC3O)CC2)NO1
InChIInChI=1S/C16H30N4O3/c1-10-19-15(20-23-10)12-4-2-11(3-5-12)8-18-16(22)13-6-7-17-9-14(13)21/h10-15,17,19-21H,2-9H2,1H3,(H,18,22)
InChIKeyNXUMKCUFNGTYAV-UHFFFAOYSA-N
MW326.44 g/mol
LogP-0.32
Rot. Bonds4

About 3-hydroxy-N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]piperidine-4-carboxamide

3-hydroxy-N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]piperidine-4-carboxamide (PubChem CID 153384028) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-hydroxy-N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]piperidine-4-carboxamide
PubChem CID153384028
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name3-hydroxy-N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]piperidine-4-carboxamide
SMILESCC1NC(C2CCC(CNC(=O)C3CCNCC3O)CC2)NO1
InChIInChI=1S/C16H30N4O3/c1-10-19-15(20-23-10)12-4-2-11(3-5-12)8-18-16(22)13-6-7-17-9-14(13)21/h10-15,17,19-21H,2-9H2,1H3,(H,18,22)
InChIKeyNXUMKCUFNGTYAV-UHFFFAOYSA-N
XLogP-0.32
TPSA94.65 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 5-0.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]piperidine-4-carboxamide (CID 153384028) is 3-hydroxy-N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]piperidine-4-carboxamide is CC1NC(C2CCC(CNC(=O)C3CCNCC3O)CC2)NO1.
What is the InChIKey of 3-hydroxy-N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]piperidine-4-carboxamide?
The InChIKey is NXUMKCUFNGTYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-10-19-15(20-23-10)12-4-2-11(3-5-12)8-18-16(22)13-6-7-17-9-14(13)21/h10-15,17,19-21H,2-9H2,1H3,(H,18,22).
What are the key properties of 3-hydroxy-N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]piperidine-4-carboxamide?
3-hydroxy-N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]piperidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of -0.32, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 153384028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).