4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one

C14H20N2O2 — CID 103765578

IUPAC4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one
SMILESCCC1CCCN(C(=O)c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C14H20N2O2/c1-2-11-4-3-8-16(9-6-11)14(18)12-5-7-15-13(17)10-12/h5,7,10-11H,2-4,6,8-9H2,1H3,(H,15,17)
InChIKeyWOPUVXRFWFTDBD-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.03
Rot. Bonds2

About 4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one

4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one (PubChem CID 103765578) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one
PubChem CID103765578
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one
SMILESCCC1CCCN(C(=O)c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C14H20N2O2/c1-2-11-4-3-8-16(9-6-11)14(18)12-5-7-15-13(17)10-12/h5,7,10-11H,2-4,6,8-9H2,1H3,(H,15,17)
InChIKeyWOPUVXRFWFTDBD-UHFFFAOYSA-N
XLogP2.03
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(ethylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 114039612
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 113264935
methyl 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate
CID 103762652
N-ethyl-4-(2-oxo-1H-pyridine-4-carbonyl)piperazine-1-carboxamide
CID 103762745
4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one
CID 103763244
(4-ethylazepan-1-yl)-(4-sulfanylphenyl)methanone
CID 107030649
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 113364846
4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 103763407
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711
5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid
CID 75356033
N-[1-(2-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 103764046

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one (CID 103765578) is 4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one is CCC1CCCN(C(=O)c2cc[nH]c(=O)c2)CC1.
What is the InChIKey of 4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is WOPUVXRFWFTDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-11-4-3-8-16(9-6-11)14(18)12-5-7-15-13(17)10-12/h5,7,10-11H,2-4,6,8-9H2,1H3,(H,15,17).
What are the key properties of 4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one?
4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 248.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 103765578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).