2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone

C23H34N2O4 — CID 112793126

IUPAC2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
SMILESCCOc1cc(C(=O)N2CCCCCCC2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C23H34N2O4/c1-2-28-21-17-19(23(27)25-15-7-4-3-5-8-16-25)11-12-20(21)29-18-22(26)24-13-9-6-10-14-24/h11-12,17H,2-10,13-16,18H2,1H3
InChIKeyGOGYDIKKYONVCC-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.88
Rot. Bonds6

About 2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone

2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone (PubChem CID 112793126) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
PubChem CID112793126
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Name2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
SMILESCCOc1cc(C(=O)N2CCCCCCC2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C23H34N2O4/c1-2-28-21-17-19(23(27)25-15-7-4-3-5-8-16-25)11-12-20(21)29-18-22(26)24-13-9-6-10-14-24/h11-12,17H,2-10,13-16,18H2,1H3
InChIKeyGOGYDIKKYONVCC-UHFFFAOYSA-N
XLogP3.88
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide
CID 43064079
2-[2-ethoxy-4-(2-ethylpiperidine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 112760204
2-[2-ethoxy-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 55662113
2-[4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 119483987
2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 28967218
2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 42997091
(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone
CID 95970604
2-[2-ethoxy-4-[3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 75387010
2-[2-ethoxy-4-[(3S)-3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 97239155
2-[2-ethoxy-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 46612910
2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55376290
(2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid
CID 100641368

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone (CID 112793126) is 2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone is CCOc1cc(C(=O)N2CCCCCCC2)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone?
The InChIKey is GOGYDIKKYONVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-2-28-21-17-19(23(27)25-15-7-4-3-5-8-16-25)11-12-20(21)29-18-22(26)24-13-9-6-10-14-24/h11-12,17H,2-10,13-16,18H2,1H3.
What are the key properties of 2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone?
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone has a molecular weight of 402.54 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 112793126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).