(6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C17H33N3O3 — CID 95717928

IUPAC(6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCOCCN1CCC(CN2CCO[C@@]3(CNCCOC3)C2)CC1
InChIInChI=1S/C17H33N3O3/c1-21-10-7-19-5-2-16(3-6-19)12-20-8-11-23-17(14-20)13-18-4-9-22-15-17/h16,18H,2-15H2,1H3/t17-/m0/s1
InChIKeyYWAKOEZURCKWEI-KRWDZBQOSA-N
MW327.47 g/mol
LogP0.04
Rot. Bonds5

About (6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

(6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 95717928) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is (6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID95717928
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC Name(6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCOCCN1CCC(CN2CCO[C@@]3(CNCCOC3)C2)CC1
InChIInChI=1S/C17H33N3O3/c1-21-10-7-19-5-2-16(3-6-19)12-20-8-11-23-17(14-20)13-18-4-9-22-15-17/h16,18H,2-15H2,1H3/t17-/m0/s1
InChIKeyYWAKOEZURCKWEI-KRWDZBQOSA-N
XLogP0.04
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane with MolForge

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Related Compounds

9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 56896311
4-cyclopropylsulfonyl-8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 155872453
1-(2-methoxyethyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091343
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
CID 47042992
1-[(6R)-4-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373186
6,6-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane
CID 115100731
11-(2-methoxyethyl)-2-(oxolan-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134072746
4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 56896816
2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide
CID 134079078
ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 176581794
1-(3,3-dimethylpiperidin-4-yl)-4-(2-methoxyethyl)piperazine
CID 117025061
(2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine
CID 95564082

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of (6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 95717928) is (6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for (6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is COCCN1CCC(CN2CCO[C@@]3(CNCCOC3)C2)CC1.
What is the InChIKey of (6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is YWAKOEZURCKWEI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-21-10-7-19-5-2-16(3-6-19)12-20-8-11-23-17(14-20)13-18-4-9-22-15-17/h16,18H,2-15H2,1H3/t17-/m0/s1.
What are the key properties of (6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
(6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 327.47 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 95717928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).