1-(1-methylpiperidin-4-yl)-1,4-diazepan-5-one

C11H21N3O — CID 70902475

IUPAC1-(1-methylpiperidin-4-yl)-1,4-diazepan-5-one
SMILESCN1CCC(N2CCNC(=O)CC2)CC1
InChIInChI=1S/C11H21N3O/c1-13-6-2-10(3-7-13)14-8-4-11(15)12-5-9-14/h10H,2-9H2,1H3,(H,12,15)
InChIKeyXBVBGCCRNQEQGY-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.10
Rot. Bonds1

About 1-(1-methylpiperidin-4-yl)-1,4-diazepan-5-one

1-(1-methylpiperidin-4-yl)-1,4-diazepan-5-one (PubChem CID 70902475) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-1,4-diazepan-5-one
PubChem CID70902475
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(1-methylpiperidin-4-yl)-1,4-diazepan-5-one
SMILESCN1CCC(N2CCNC(=O)CC2)CC1
InChIInChI=1S/C11H21N3O/c1-13-6-2-10(3-7-13)14-8-4-11(15)12-5-9-14/h10H,2-9H2,1H3,(H,12,15)
InChIKeyXBVBGCCRNQEQGY-UHFFFAOYSA-N
XLogP-0.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(methylamino)cyclohexyl]-1,4-diazepan-5-one
CID 114763269
1-methyl-1,4-diazepan-5-one;hydrochloride
CID 70700992
1-cycloheptyl-1,4-diazocan-5-one
CID 117015433
8-hydroxy-1-methyl-1,4-diazecan-5-one
CID 123855637
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-d][1,4]diazepin-2-one
CID 565959
1-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
CID 115370558
3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione
CID 166117554
4-methyl-2-(5-oxo-1,4-diazepan-1-yl)cyclohexane-1-carbonitrile
CID 55135082
1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one
CID 79741363
1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-1,4-diazepan-5-one
CID 67971123
4-fluoro-1-(1-methylpiperidin-4-yl)piperidine
CID 90227733

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-1,4-diazepan-5-one?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-1,4-diazepan-5-one (CID 70902475) is 1-(1-methylpiperidin-4-yl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-1,4-diazepan-5-one is CN1CCC(N2CCNC(=O)CC2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-1,4-diazepan-5-one?
The InChIKey is XBVBGCCRNQEQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-13-6-2-10(3-7-13)14-8-4-11(15)12-5-9-14/h10H,2-9H2,1H3,(H,12,15).
What are the key properties of 1-(1-methylpiperidin-4-yl)-1,4-diazepan-5-one?
1-(1-methylpiperidin-4-yl)-1,4-diazepan-5-one has a molecular weight of 211.31 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-1,4-diazepan-5-one is sourced from PubChem (CID 70902475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).