3-(azepan-1-ylmethyl)-1H-pyridin-2-one

C12H18N2O — CID 123976355

IUPAC3-(azepan-1-ylmethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CN1CCCCCC1
InChIInChI=1S/C12H18N2O/c15-12-11(6-5-7-13-12)10-14-8-3-1-2-4-9-14/h5-7H,1-4,8-10H2,(H,13,15)
InChIKeyASDFFWNMDGTAHZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.75
Rot. Bonds2

About 3-(azepan-1-ylmethyl)-1H-pyridin-2-one

3-(azepan-1-ylmethyl)-1H-pyridin-2-one (PubChem CID 123976355) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(azepan-1-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(azepan-1-ylmethyl)-1H-pyridin-2-one
PubChem CID123976355
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(azepan-1-ylmethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CN1CCCCCC1
InChIInChI=1S/C12H18N2O/c15-12-11(6-5-7-13-12)10-14-8-3-1-2-4-9-14/h5-7H,1-4,8-10H2,(H,13,15)
InChIKeyASDFFWNMDGTAHZ-UHFFFAOYSA-N
XLogP1.75
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidinomethyl pyridone
CID 59117160
1-[3-(Azepan-1-yl)-3-oxopropyl]pyridin-2-one
CID 45815056
carbanide;3-(piperidin-4-id-1-ylmethyl)-1H-pyridin-2-one;tungsten(2+)
CID 59117159
1-ethyl-N-methyl-2H-pyridine-3-carboxamide
CID 68317614
(N,N-diethylaminomethyl)-2-pyridone
CID 70030271
1,1-diethyl-N-methyl-2H-pyridin-1-ium-3-carboxamide
CID 87719367
ethane;1-hexan-3-yl-N-methyl-2-oxopyridine-3-carboxamide
CID 143596587
3-[(4-aminopiperidin-1-yl)methyl]-1H-pyridin-2-one
CID 145176444
N,N-diethyl-1,2-dihydropyridine-3-carboxamide
CID 166919316
azepan-1-yl-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 18167593
N-hexyl-2-oxo-1H-pyridine-3-carboxamide
CID 25514495
3-(azocane-1-carbonyl)-1H-pyridin-2-one
CID 25662857

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(azepan-1-ylmethyl)-1H-pyridin-2-one (CID 123976355) is 3-(azepan-1-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(azepan-1-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(azepan-1-ylmethyl)-1H-pyridin-2-one is O=c1[nH]cccc1CN1CCCCCC1.
What is the InChIKey of 3-(azepan-1-ylmethyl)-1H-pyridin-2-one?
The InChIKey is ASDFFWNMDGTAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-12-11(6-5-7-13-12)10-14-8-3-1-2-4-9-14/h5-7H,1-4,8-10H2,(H,13,15).
What are the key properties of 3-(azepan-1-ylmethyl)-1H-pyridin-2-one?
3-(azepan-1-ylmethyl)-1H-pyridin-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 123976355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).