4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one

C13H23N3O2 — CID 65363828

IUPAC4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)CCC2CCCCN2)CCCN1
InChIInChI=1S/C13H23N3O2/c17-12-10-16(9-3-8-15-12)13(18)6-5-11-4-1-2-7-14-11/h11,14H,1-10H2,(H,15,17)
InChIKeyPBPIITPRUWXDKM-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.26
Rot. Bonds3

About 4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one

4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one (PubChem CID 65363828) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one
PubChem CID65363828
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)CCC2CCCCN2)CCCN1
InChIInChI=1S/C13H23N3O2/c17-12-10-16(9-3-8-15-12)13(18)6-5-11-4-1-2-7-14-11/h11,14H,1-10H2,(H,15,17)
InChIKeyPBPIITPRUWXDKM-UHFFFAOYSA-N
XLogP0.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-diazepan-1-yl)-3-piperidin-2-ylpropan-1-one
CID 62210868
4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one
CID 62897580
4-(2-pyrrolidin-2-ylacetyl)piperazin-2-one;hydrochloride
CID 119681672
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-2-ylpropan-1-one
CID 62210843
1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 106668830
4-pentanoyl-1,4-diazepan-2-one
CID 62898703
4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one
CID 65366267
4-(2-piperidin-2-ylethylsulfonyl)-1,4-diazepan-2-one
CID 65364180
1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 114236996
N,N-dimethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-1-carboxamide
CID 62211785
1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione
CID 62897036
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one
CID 114797531

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one (CID 65363828) is 4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one is O=C1CN(C(=O)CCC2CCCCN2)CCCN1.
What is the InChIKey of 4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one?
The InChIKey is PBPIITPRUWXDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c17-12-10-16(9-3-8-15-12)13(18)6-5-11-4-1-2-7-14-11/h11,14H,1-10H2,(H,15,17).
What are the key properties of 4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one?
4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one is sourced from PubChem (CID 65363828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).