3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one

C13H25N3O — CID 106635412

IUPAC3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one
SMILESCN(CC1CCCCN1)C1CCCCNC1=O
InChIInChI=1S/C13H25N3O/c1-16(10-11-6-2-4-8-14-11)12-7-3-5-9-15-13(12)17/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyKODWVCMTTGEXMM-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.73
Rot. Bonds3

About 3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one

3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one (PubChem CID 106635412) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one.

Molecular Properties

Compound Name3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one
PubChem CID106635412
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one
SMILESCN(CC1CCCCN1)C1CCCCNC1=O
InChIInChI=1S/C13H25N3O/c1-16(10-11-6-2-4-8-14-11)12-7-3-5-9-15-13(12)17/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyKODWVCMTTGEXMM-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-iodoethyl(methyl)amino]azepan-2-one
CID 131019285
3-[3-hydroxybutyl(methyl)amino]azepan-2-one
CID 115773325
3-[(1-fluorocyclohexyl)methyl-methylamino]azepan-2-one
CID 126856260
N,N-dimethyl-1-piperidin-2-ylmethanamine;dihydrochloride
CID 45075192
3-[(2-hydroxy-3-methoxypropyl)-methylamino]azepan-2-one
CID 62013989
N-methyl-N-(piperidin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 106635602
N-methyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106623158
3-[2-aminoethyl(ethyl)amino]azepan-2-one
CID 61350282
N-methyl-5-oxo-N-(piperidin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 106627526
4-[azepan-2-ylmethyl(methyl)amino]phenol
CID 84697932
4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine
CID 97164172
2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 100655756

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one?
The IUPAC name of 3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one (CID 106635412) is 3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one.
What is the SMILES notation for 3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one?
The canonical SMILES for 3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one is CN(CC1CCCCN1)C1CCCCNC1=O.
What is the InChIKey of 3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one?
The InChIKey is KODWVCMTTGEXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-16(10-11-6-2-4-8-14-11)12-7-3-5-9-15-13(12)17/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of 3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one?
3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one has a molecular weight of 239.36 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one is sourced from PubChem (CID 106635412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).