1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone

C12H21N3O3 — CID 154703363

IUPAC1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)N2CCCOCC2)CC1
InChIInChI=1S/C12H21N3O3/c1-11(16)13-4-6-15(7-5-13)12(17)14-3-2-9-18-10-8-14/h2-10H2,1H3
InChIKeyWPVJAGLMXQWGMY-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.01
Rot. Bonds

About 1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone

1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 154703363) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID154703363
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)N2CCCOCC2)CC1
InChIInChI=1S/C12H21N3O3/c1-11(16)13-4-6-15(7-5-13)12(17)14-3-2-9-18-10-8-14/h2-10H2,1H3
InChIKeyWPVJAGLMXQWGMY-UHFFFAOYSA-N
XLogP-0.01
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid
CID 63127462
3-methyl-1-(1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63148214
(4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone
CID 113246114
2,3-dimethyl-4-(1,4-oxazepan-4-yl)-4-oxobut-2-enoic acid
CID 76992411
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 108988685
1-(azetidin-1-yl)ethanone
CID 14061673
(4-methanidylpiperazin-4-ium-1-yl)-morpholin-4-ylmethanone
CID 59620107
morpholine-4-carbaldehyde;1-morpholin-4-ylethanone
CID 158454049

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone (CID 154703363) is 1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)N2CCCOCC2)CC1.
What is the InChIKey of 1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is WPVJAGLMXQWGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-11(16)13-4-6-15(7-5-13)12(17)14-3-2-9-18-10-8-14/h2-10H2,1H3.
What are the key properties of 1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone?
1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 255.32 g/mol, XLogP of -0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 154703363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).