ethane;2-ethoxy-1-[4-[1-(1-propylazetidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone

C23H43N3O3 — CID 166466914

IUPACethane;2-ethoxy-1-[4-[1-(1-propylazetidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone
SMILESCC.CCCN1CC(C(=O)N2CCC(C3CCN(C(=O)COCC)CC3)CC2)C1
InChIInChI=1S/C21H37N3O3.C2H6/c1-3-9-22-14-19(15-22)21(26)24-12-7-18(8-13-24)17-5-10-23(11-6-17)20(25)16-27-4-2;1-2/h17-19H,3-16H2,1-2H3;1-2H3
InChIKeyJBESTJWTQREJCQ-UHFFFAOYSA-N
MW409.62 g/mol
LogP2.87
Rot. Bonds7

About ethane;2-ethoxy-1-[4-[1-(1-propylazetidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone

ethane;2-ethoxy-1-[4-[1-(1-propylazetidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 166466914) has the molecular formula C23H43N3O3 and a molecular weight of 409.62 g/mol. Its IUPAC name is ethane;2-ethoxy-1-[4-[1-(1-propylazetidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;2-ethoxy-1-[4-[1-(1-propylazetidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone
PubChem CID166466914
Molecular FormulaC23H43N3O3
Molecular Weight409.62 g/mol
Exact Mass409.33
IUPAC Nameethane;2-ethoxy-1-[4-[1-(1-propylazetidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone
SMILESCC.CCCN1CC(C(=O)N2CCC(C3CCN(C(=O)COCC)CC3)CC2)C1
InChIInChI=1S/C21H37N3O3.C2H6/c1-3-9-22-14-19(15-22)21(26)24-12-7-18(8-13-24)17-5-10-23(11-6-17)20(25)16-27-4-2;1-2/h17-19H,3-16H2,1-2H3;1-2H3
InChIKeyJBESTJWTQREJCQ-UHFFFAOYSA-N
XLogP2.87
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524
2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone
CID 60708281
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-ethoxyethanone
CID 95358475
1-[4-[1-[1-(2-methylpropyl)azetidine-3-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-propan-2-yloxyethanone
CID 164715642
2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718
1-[4-(chloromethyl)piperidin-1-yl]-2-ethoxyethanone
CID 63397851
1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052
2-ethoxy-1-(4-methylazepan-1-yl)ethanone
CID 62046305
1-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 131909918
2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999570
2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509876

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethoxy-1-[4-[1-(1-propylazetidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of ethane;2-ethoxy-1-[4-[1-(1-propylazetidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone (CID 166466914) is ethane;2-ethoxy-1-[4-[1-(1-propylazetidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for ethane;2-ethoxy-1-[4-[1-(1-propylazetidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for ethane;2-ethoxy-1-[4-[1-(1-propylazetidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone is CC.CCCN1CC(C(=O)N2CCC(C3CCN(C(=O)COCC)CC3)CC2)C1.
What is the InChIKey of ethane;2-ethoxy-1-[4-[1-(1-propylazetidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is JBESTJWTQREJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O3.C2H6/c1-3-9-22-14-19(15-22)21(26)24-12-7-18(8-13-24)17-5-10-23(11-6-17)20(25)16-27-4-2;1-2/h17-19H,3-16H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethoxy-1-[4-[1-(1-propylazetidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone?
ethane;2-ethoxy-1-[4-[1-(1-propylazetidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 409.62 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethoxy-1-[4-[1-(1-propylazetidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 166466914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).