1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one

C12H23N3O — CID 105061114

IUPAC1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one
SMILESO=C1CCN(CCC2CCNCC2)CCN1
InChIInChI=1S/C12H23N3O/c16-12-4-9-15(10-7-14-12)8-3-11-1-5-13-6-2-11/h11,13H,1-10H2,(H,14,16)
InChIKeyONDPKXUOUODVSR-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.20
Rot. Bonds3

About 1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one

1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one (PubChem CID 105061114) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one
PubChem CID105061114
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one
SMILESO=C1CCN(CCC2CCNCC2)CCN1
InChIInChI=1S/C12H23N3O/c16-12-4-9-15(10-7-14-12)8-3-11-1-5-13-6-2-11/h11,13H,1-10H2,(H,14,16)
InChIKeyONDPKXUOUODVSR-UHFFFAOYSA-N
XLogP0.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(tert-butylamino)ethyl]-1,4-diazepan-5-one
CID 107446478
1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one
CID 63004638
5-(2-piperazin-1-ylethyl)pyrrolidin-2-one
CID 83880155
2-methyl-8-(2-piperidin-4-ylethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 166113679
4,4-dimethyl-1-(2-piperidin-4-ylethyl)piperidine
CID 62937944
4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one
CID 86323546
1-propyl-1,4-diazocan-5-one
CID 117015407
4-(2-piperidin-4-ylethyl)morpholine-3,5-dione
CID 61327774
1-cyclopropyl-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663613
4-(5-oxo-1,4-diazepan-1-yl)butanoic acid
CID 63004132
6-(2-piperidin-4-ylethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one
CID 167943100
1-(piperidin-4-ylmethyl)piperidin-4-one
CID 115020783

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one (CID 105061114) is 1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one is O=C1CCN(CCC2CCNCC2)CCN1.
What is the InChIKey of 1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one?
The InChIKey is ONDPKXUOUODVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c16-12-4-9-15(10-7-14-12)8-3-11-1-5-13-6-2-11/h11,13H,1-10H2,(H,14,16).
What are the key properties of 1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one?
1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one has a molecular weight of 225.34 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one is sourced from PubChem (CID 105061114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).