1-(1-methylpiperidin-2-yl)-1,4-diazepan-2-one

C11H21N3O — CID 115101846

IUPAC1-(1-methylpiperidin-2-yl)-1,4-diazepan-2-one
SMILESCN1CCCCC1N1CCCNCC1=O
InChIInChI=1S/C11H21N3O/c1-13-7-3-2-5-10(13)14-8-4-6-12-9-11(14)15/h10,12H,2-9H2,1H3
InChIKeyKCXJEUJPGIPRQM-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.25
Rot. Bonds1

About 1-(1-methylpiperidin-2-yl)-1,4-diazepan-2-one

1-(1-methylpiperidin-2-yl)-1,4-diazepan-2-one (PubChem CID 115101846) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(1-methylpiperidin-2-yl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-(1-methylpiperidin-2-yl)-1,4-diazepan-2-one
PubChem CID115101846
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(1-methylpiperidin-2-yl)-1,4-diazepan-2-one
SMILESCN1CCCCC1N1CCCNCC1=O
InChIInChI=1S/C11H21N3O/c1-13-7-3-2-5-10(13)14-8-4-6-12-9-11(14)15/h10,12H,2-9H2,1H3
InChIKeyKCXJEUJPGIPRQM-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-4-yl-1,4-diazepan-2-one
CID 89310976
1-(thiolan-2-yl)-1,4-diazepan-2-one
CID 115101837
1-(2-methylcyclohexyl)piperazin-2-one
CID 64566824
1-cyclohexylpiperazin-2-one;hydrate
CID 86812142
6,6-dimethyl-4-(1-methylpyrrolidin-2-yl)-1,4-diazepan-5-one
CID 115100535
6-(aminomethyl)-4-(1-methylpiperidin-2-yl)morpholin-3-one
CID 115102999
4-(1-propan-2-ylpiperidin-2-yl)-1,4-diazepan-5-one
CID 115100453
(8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one
CID 18638938
1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride
CID 67112219
4-cyclopentyl-1,4-diazocan-5-one
CID 117015321
1-(azetidin-3-yl)piperazin-2-one
CID 163241212
1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 107913495

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-2-yl)-1,4-diazepan-2-one?
The IUPAC name of 1-(1-methylpiperidin-2-yl)-1,4-diazepan-2-one (CID 115101846) is 1-(1-methylpiperidin-2-yl)-1,4-diazepan-2-one.
What is the SMILES notation for 1-(1-methylpiperidin-2-yl)-1,4-diazepan-2-one?
The canonical SMILES for 1-(1-methylpiperidin-2-yl)-1,4-diazepan-2-one is CN1CCCCC1N1CCCNCC1=O.
What is the InChIKey of 1-(1-methylpiperidin-2-yl)-1,4-diazepan-2-one?
The InChIKey is KCXJEUJPGIPRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-13-7-3-2-5-10(13)14-8-4-6-12-9-11(14)15/h10,12H,2-9H2,1H3.
What are the key properties of 1-(1-methylpiperidin-2-yl)-1,4-diazepan-2-one?
1-(1-methylpiperidin-2-yl)-1,4-diazepan-2-one has a molecular weight of 211.31 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-2-yl)-1,4-diazepan-2-one is sourced from PubChem (CID 115101846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).