1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one

C14H24N2O3 — CID 114218586

IUPAC1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one
SMILESCCC1CN(CC(=O)N2CCC(=O)CC2)CCCO1
InChIInChI=1S/C14H24N2O3/c1-2-13-10-15(6-3-9-19-13)11-14(18)16-7-4-12(17)5-8-16/h13H,2-11H2,1H3
InChIKeyNWAPAPFHUUUZFP-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.68
Rot. Bonds3

About 1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one

1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one (PubChem CID 114218586) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one
PubChem CID114218586
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one
SMILESCCC1CN(CC(=O)N2CCC(=O)CC2)CCCO1
InChIInChI=1S/C14H24N2O3/c1-2-13-10-15(6-3-9-19-13)11-14(18)16-7-4-12(17)5-8-16/h13H,2-11H2,1H3
InChIKeyNWAPAPFHUUUZFP-UHFFFAOYSA-N
XLogP0.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-1,4-oxazepan-4-yl)acetic acid
CID 130485509
1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one
CID 43229392
1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one
CID 55153337
1-[2-(3-ethyl-4-methylpiperazin-1-yl)acetyl]piperidin-4-one
CID 63634097
2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone
CID 100843897
1-[2-(4-ethylpiperidin-1-yl)acetyl]piperidin-4-one
CID 61421544
1-(2-ethylmorpholin-4-yl)-2-piperazin-1-ylethanone
CID 43563037
2-chloro-1-(2-ethyl-1,4-oxazepan-4-yl)ethanone
CID 130485475
1-[2-(oxolan-2-ylmethylsulfonyl)acetyl]piperidin-4-one
CID 113356585
2-[2-(hydroxymethyl)morpholin-4-yl]-1-pyrrolidin-1-ylethanone
CID 79840662
1-(azetidin-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 79832857
1-(2-ethylmorpholin-4-yl)butan-2-one
CID 62040570

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one (CID 114218586) is 1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one is CCC1CN(CC(=O)N2CCC(=O)CC2)CCCO1.
What is the InChIKey of 1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one?
The InChIKey is NWAPAPFHUUUZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-13-10-15(6-3-9-19-13)11-14(18)16-7-4-12(17)5-8-16/h13H,2-11H2,1H3.
What are the key properties of 1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one?
1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one has a molecular weight of 268.36 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one is sourced from PubChem (CID 114218586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).