4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide

C13H23N3O3 — CID 119708546

IUPAC4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
SMILESCOC1(C(=O)NC2CCCCNC2=O)CCNCC1
InChIInChI=1S/C13H23N3O3/c1-19-13(5-8-14-9-6-13)12(18)16-10-4-2-3-7-15-11(10)17/h10,14H,2-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyAOCMMDXOUNTEBH-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.46
Rot. Bonds3

About 4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide

4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide (PubChem CID 119708546) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
PubChem CID119708546
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
SMILESCOC1(C(=O)NC2CCCCNC2=O)CCNCC1
InChIInChI=1S/C13H23N3O3/c1-19-13(5-8-14-9-6-13)12(18)16-10-4-2-3-7-15-11(10)17/h10,14H,2-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyAOCMMDXOUNTEBH-UHFFFAOYSA-N
XLogP-0.46
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide (CID 119708546) is 4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide is COC1(C(=O)NC2CCCCNC2=O)CCNCC1.
What is the InChIKey of 4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide?
The InChIKey is AOCMMDXOUNTEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-19-13(5-8-14-9-6-13)12(18)16-10-4-2-3-7-15-11(10)17/h10,14H,2-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide?
4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide has a molecular weight of 269.34 g/mol, XLogP of -0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 119708546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).