3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one

C13H25N3O — CID 115102053

IUPAC3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one
SMILESCC1NCCCN(CC2CCCN(C)C2)C1=O
InChIInChI=1S/C13H25N3O/c1-11-13(17)16(8-4-6-14-11)10-12-5-3-7-15(2)9-12/h11-12,14H,3-10H2,1-2H3
InChIKeyFIQGDPJIBCHOGQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.54
Rot. Bonds2

About 3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one

3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one (PubChem CID 115102053) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one
PubChem CID115102053
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one
SMILESCC1NCCCN(CC2CCCN(C)C2)C1=O
InChIInChI=1S/C13H25N3O/c1-11-13(17)16(8-4-6-14-11)10-12-5-3-7-15(2)9-12/h11-12,14H,3-10H2,1-2H3
InChIKeyFIQGDPJIBCHOGQ-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(pyrrolidin-3-ylmethyl)-1,4-diazepan-2-one
CID 115102005
5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83255711
3-cyclopropyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 64967452
3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one
CID 83160675
1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one
CID 63258997
1-ethyl-3-methyl-1,4-diazocan-2-one
CID 117016221
3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one
CID 115102162
1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64967471
3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one
CID 115101940
N-(cyclopropylmethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide
CID 63258995
1,3-dimethyl-1,4-diazepan-2-one;ethane
CID 143004866
3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepan-2-one
CID 107052712

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one?
The IUPAC name of 3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one (CID 115102053) is 3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one.
What is the SMILES notation for 3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one?
The canonical SMILES for 3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one is CC1NCCCN(CC2CCCN(C)C2)C1=O.
What is the InChIKey of 3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one?
The InChIKey is FIQGDPJIBCHOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11-13(17)16(8-4-6-14-11)10-12-5-3-7-15(2)9-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one?
3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one has a molecular weight of 239.36 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one is sourced from PubChem (CID 115102053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).