ethyl 2-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetate

C20H30N2O3 — CID 118738816

IUPACethyl 2-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetate
SMILESCCOC(=O)CN1CCC2(CCCN(CCOc3ccccc3)C2)C1
InChIInChI=1S/C20H30N2O3/c1-2-24-19(23)15-22-12-10-20(17-22)9-6-11-21(16-20)13-14-25-18-7-4-3-5-8-18/h3-5,7-8H,2,6,9-17H2,1H3
InChIKeyYNADHSARQSWVJR-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.42
Rot. Bonds7

About ethyl 2-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetate

ethyl 2-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetate (PubChem CID 118738816) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is ethyl 2-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetate
PubChem CID118738816
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Nameethyl 2-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetate
SMILESCCOC(=O)CN1CCC2(CCCN(CCOc3ccccc3)C2)C1
InChIInChI=1S/C20H30N2O3/c1-2-24-19(23)15-22-12-10-20(17-22)9-6-11-21(16-20)13-14-25-18-7-4-3-5-8-18/h3-5,7-8H,2,6,9-17H2,1H3
InChIKeyYNADHSARQSWVJR-UHFFFAOYSA-N
XLogP2.42
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl (5S)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3233243
phenyl (5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3234550
Piperidinium, 1-(carboxymethyl)-1-(3-(p-methoxybenzyl)-2-butenyl)-, chloride, dodecyl ester
CID 6446601
2-piperidin-1-ylethyl (E)-3-(4-butoxyphenyl)prop-2-enoate;hydrochloride
CID 12636983
2-Ethyl-8-[2-(4-fluorophenoxy)ethyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72857873
2-Methyl-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 118739678
2-Cyclopropyl-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 118742431
N,N-dimethyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 118742433
[9-(2-Phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 118744011
8-(N-methylglycyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70707335
3-Methyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
CID 2923366
1-{4-[(Dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]dec-2-yl}-2-phenoxy-1-ethanone
CID 87053386

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetate?
The IUPAC name of ethyl 2-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetate (CID 118738816) is ethyl 2-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetate?
The canonical SMILES for ethyl 2-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetate is CCOC(=O)CN1CCC2(CCCN(CCOc3ccccc3)C2)C1.
What is the InChIKey of ethyl 2-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetate?
The InChIKey is YNADHSARQSWVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-2-24-19(23)15-22-12-10-20(17-22)9-6-11-21(16-20)13-14-25-18-7-4-3-5-8-18/h3-5,7-8H,2,6,9-17H2,1H3.
What are the key properties of ethyl 2-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetate?
ethyl 2-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetate has a molecular weight of 346.47 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetate is sourced from PubChem (CID 118738816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).