4-(1-propan-2-ylpiperidin-2-yl)-1,4-diazepan-5-one

C13H25N3O — CID 115100453

IUPAC4-(1-propan-2-ylpiperidin-2-yl)-1,4-diazepan-5-one
SMILESCC(C)N1CCCCC1N1CCNCCC1=O
InChIInChI=1S/C13H25N3O/c1-11(2)15-9-4-3-5-12(15)16-10-8-14-7-6-13(16)17/h11-12,14H,3-10H2,1-2H3
InChIKeyOYIITLFGRPHLDI-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.03
Rot. Bonds2

About 4-(1-propan-2-ylpiperidin-2-yl)-1,4-diazepan-5-one

4-(1-propan-2-ylpiperidin-2-yl)-1,4-diazepan-5-one (PubChem CID 115100453) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-(1-propan-2-ylpiperidin-2-yl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(1-propan-2-ylpiperidin-2-yl)-1,4-diazepan-5-one
PubChem CID115100453
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-(1-propan-2-ylpiperidin-2-yl)-1,4-diazepan-5-one
SMILESCC(C)N1CCCCC1N1CCNCCC1=O
InChIInChI=1S/C13H25N3O/c1-11(2)15-9-4-3-5-12(15)16-10-8-14-7-6-13(16)17/h11-12,14H,3-10H2,1-2H3
InChIKeyOYIITLFGRPHLDI-UHFFFAOYSA-N
XLogP1.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-1,4-diazocan-5-one
CID 117015321
4-(oxolan-2-yl)-1,4-diazepan-5-one
CID 115100440
1-(1-propan-2-ylpiperidin-2-yl)-2-(trifluoromethyl)piperazine
CID 115101290
1-(1-methylpiperidin-2-yl)-1,4-diazepan-2-one
CID 115101846
4-(1-propan-2-ylpyrrolidin-2-yl)piperidine
CID 66273659
1-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]piperazine
CID 102541673
1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one
CID 22980195
1-(1-piperidin-4-ylethyl)azepane-2,7-dione
CID 43523546
1-pyrrolidin-3-ylpiperidin-2-one
CID 62329305
1-propan-2-yl-2-pyrrolidin-2-ylpiperidine
CID 63256346
(3S)-3-piperidin-4-yl-1-propan-2-ylazepan-2-one
CID 95804137
1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one
CID 170740192

Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-ylpiperidin-2-yl)-1,4-diazepan-5-one?
The IUPAC name of 4-(1-propan-2-ylpiperidin-2-yl)-1,4-diazepan-5-one (CID 115100453) is 4-(1-propan-2-ylpiperidin-2-yl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-(1-propan-2-ylpiperidin-2-yl)-1,4-diazepan-5-one?
The canonical SMILES for 4-(1-propan-2-ylpiperidin-2-yl)-1,4-diazepan-5-one is CC(C)N1CCCCC1N1CCNCCC1=O.
What is the InChIKey of 4-(1-propan-2-ylpiperidin-2-yl)-1,4-diazepan-5-one?
The InChIKey is OYIITLFGRPHLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(2)15-9-4-3-5-12(15)16-10-8-14-7-6-13(16)17/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 4-(1-propan-2-ylpiperidin-2-yl)-1,4-diazepan-5-one?
4-(1-propan-2-ylpiperidin-2-yl)-1,4-diazepan-5-one has a molecular weight of 239.36 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-ylpiperidin-2-yl)-1,4-diazepan-5-one is sourced from PubChem (CID 115100453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).