3-hydroxy-3-methyl-N-(oxepan-4-yl)piperidine-1-carboxamide

C13H24N2O3 — CID 126805696

IUPAC3-hydroxy-3-methyl-N-(oxepan-4-yl)piperidine-1-carboxamide
SMILESCC1(O)CCCN(C(=O)NC2CCCOCC2)C1
InChIInChI=1S/C13H24N2O3/c1-13(17)6-3-7-15(10-13)12(16)14-11-4-2-8-18-9-5-11/h11,17H,2-10H2,1H3,(H,14,16)
InChIKeyLPCDXODQQMNVCF-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.11
Rot. Bonds1

About 3-hydroxy-3-methyl-N-(oxepan-4-yl)piperidine-1-carboxamide

3-hydroxy-3-methyl-N-(oxepan-4-yl)piperidine-1-carboxamide (PubChem CID 126805696) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-N-(oxepan-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-3-methyl-N-(oxepan-4-yl)piperidine-1-carboxamide
PubChem CID126805696
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-hydroxy-3-methyl-N-(oxepan-4-yl)piperidine-1-carboxamide
SMILESCC1(O)CCCN(C(=O)NC2CCCOCC2)C1
InChIInChI=1S/C13H24N2O3/c1-13(17)6-3-7-15(10-13)12(16)14-11-4-2-8-18-9-5-11/h11,17H,2-10H2,1H3,(H,14,16)
InChIKeyLPCDXODQQMNVCF-UHFFFAOYSA-N
XLogP1.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-N-(oxepan-4-yl)piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-3-methyl-N-(oxepan-4-yl)piperidine-1-carboxamide (CID 126805696) is 3-hydroxy-3-methyl-N-(oxepan-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-3-methyl-N-(oxepan-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-3-methyl-N-(oxepan-4-yl)piperidine-1-carboxamide is CC1(O)CCCN(C(=O)NC2CCCOCC2)C1.
What is the InChIKey of 3-hydroxy-3-methyl-N-(oxepan-4-yl)piperidine-1-carboxamide?
The InChIKey is LPCDXODQQMNVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(17)6-3-7-15(10-13)12(16)14-11-4-2-8-18-9-5-11/h11,17H,2-10H2,1H3,(H,14,16).
What are the key properties of 3-hydroxy-3-methyl-N-(oxepan-4-yl)piperidine-1-carboxamide?
3-hydroxy-3-methyl-N-(oxepan-4-yl)piperidine-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-N-(oxepan-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126805696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).