4-[(1-methylpiperidin-3-yl)amino]azepan-2-one

C12H23N3O — CID 63887519

IUPAC4-[(1-methylpiperidin-3-yl)amino]azepan-2-one
SMILESCN1CCCC(NC2CCCNC(=O)C2)C1
InChIInChI=1S/C12H23N3O/c1-15-7-3-5-11(9-15)14-10-4-2-6-13-12(16)8-10/h10-11,14H,2-9H2,1H3,(H,13,16)
InChIKeyMQYJCJHAUZGVAV-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.34
Rot. Bonds2

About 4-[(1-methylpiperidin-3-yl)amino]azepan-2-one

4-[(1-methylpiperidin-3-yl)amino]azepan-2-one (PubChem CID 63887519) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-[(1-methylpiperidin-3-yl)amino]azepan-2-one.

Molecular Properties

Compound Name4-[(1-methylpiperidin-3-yl)amino]azepan-2-one
PubChem CID63887519
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-[(1-methylpiperidin-3-yl)amino]azepan-2-one
SMILESCN1CCCC(NC2CCCNC(=O)C2)C1
InChIInChI=1S/C12H23N3O/c1-15-7-3-5-11(9-15)14-10-4-2-6-13-12(16)8-10/h10-11,14H,2-9H2,1H3,(H,13,16)
InChIKeyMQYJCJHAUZGVAV-UHFFFAOYSA-N
XLogP0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpiperidin-3-yl)amino]azepan-2-one?
The IUPAC name of 4-[(1-methylpiperidin-3-yl)amino]azepan-2-one (CID 63887519) is 4-[(1-methylpiperidin-3-yl)amino]azepan-2-one.
What is the SMILES notation for 4-[(1-methylpiperidin-3-yl)amino]azepan-2-one?
The canonical SMILES for 4-[(1-methylpiperidin-3-yl)amino]azepan-2-one is CN1CCCC(NC2CCCNC(=O)C2)C1.
What is the InChIKey of 4-[(1-methylpiperidin-3-yl)amino]azepan-2-one?
The InChIKey is MQYJCJHAUZGVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-15-7-3-5-11(9-15)14-10-4-2-6-13-12(16)8-10/h10-11,14H,2-9H2,1H3,(H,13,16).
What are the key properties of 4-[(1-methylpiperidin-3-yl)amino]azepan-2-one?
4-[(1-methylpiperidin-3-yl)amino]azepan-2-one has a molecular weight of 225.34 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpiperidin-3-yl)amino]azepan-2-one is sourced from PubChem (CID 63887519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).