1-piperidin-4-yl-1,4-diazepan-2-one

C10H19N3O — CID 89310976

IUPAC1-piperidin-4-yl-1,4-diazepan-2-one
SMILESO=C1CNCCCN1C1CCNCC1
InChIInChI=1S/C10H19N3O/c14-10-8-12-4-1-7-13(10)9-2-5-11-6-3-9/h9,11-12H,1-8H2
InChIKeyAKVXAUKYFYGAQV-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.44
Rot. Bonds1

About 1-piperidin-4-yl-1,4-diazepan-2-one

1-piperidin-4-yl-1,4-diazepan-2-one (PubChem CID 89310976) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-piperidin-4-yl-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-piperidin-4-yl-1,4-diazepan-2-one
PubChem CID89310976
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-piperidin-4-yl-1,4-diazepan-2-one
SMILESO=C1CNCCCN1C1CCNCC1
InChIInChI=1S/C10H19N3O/c14-10-8-12-4-1-7-13(10)9-2-5-11-6-3-9/h9,11-12H,1-8H2
InChIKeyAKVXAUKYFYGAQV-UHFFFAOYSA-N
XLogP-0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-1,4-diazepan-2-one?
The IUPAC name of 1-piperidin-4-yl-1,4-diazepan-2-one (CID 89310976) is 1-piperidin-4-yl-1,4-diazepan-2-one.
What is the SMILES notation for 1-piperidin-4-yl-1,4-diazepan-2-one?
The canonical SMILES for 1-piperidin-4-yl-1,4-diazepan-2-one is O=C1CNCCCN1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-1,4-diazepan-2-one?
The InChIKey is AKVXAUKYFYGAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c14-10-8-12-4-1-7-13(10)9-2-5-11-6-3-9/h9,11-12H,1-8H2.
What are the key properties of 1-piperidin-4-yl-1,4-diazepan-2-one?
1-piperidin-4-yl-1,4-diazepan-2-one has a molecular weight of 197.28 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-1,4-diazepan-2-one is sourced from PubChem (CID 89310976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).