[3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate

C19H34N2O2 — CID 176694999

IUPAC[3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate
SMILESCC(=O)OC1CCC2(CC1)CCN(CC1CCN(C)CC1)CC2
InChIInChI=1S/C19H34N2O2/c1-16(22)23-18-3-7-19(8-4-18)9-13-21(14-10-19)15-17-5-11-20(2)12-6-17/h17-18H,3-15H2,1-2H3
InChIKeyQEOCFMWEKOLKJT-UHFFFAOYSA-N
MW322.49 g/mol
LogP2.92
Rot. Bonds3

About [3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate

[3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate (PubChem CID 176694999) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is [3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate.

Molecular Properties

Compound Name[3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate
PubChem CID176694999
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name[3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate
SMILESCC(=O)OC1CCC2(CC1)CCN(CC1CCN(C)CC1)CC2
InChIInChI=1S/C19H34N2O2/c1-16(22)23-18-3-7-19(8-4-18)9-13-21(14-10-19)15-17-5-11-20(2)12-6-17/h17-18H,3-15H2,1-2H3
InChIKeyQEOCFMWEKOLKJT-UHFFFAOYSA-N
XLogP2.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
CID 176968057
2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane
CID 167091118
O-[3-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclobutyl]hydroxylamine
CID 156719894
[(3R,4S)-3-fluoro-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl] acetate
CID 168903053
9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane
CID 155702568
1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone
CID 174195325
1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683548
7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-prop-1-en-2-yloxy-7-azaspiro[3.5]nonane
CID 155036623
ethane;6-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.4]octane
CID 171641866
bis(1-methylpiperidin-4-yl) carbonate;hydrochloride
CID 175100790
7-[(1-ethylpiperidin-4-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
CID 171641209
6-methyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 156719594

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate?
The IUPAC name of [3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate (CID 176694999) is [3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate.
What is the SMILES notation for [3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate?
The canonical SMILES for [3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate is CC(=O)OC1CCC2(CC1)CCN(CC1CCN(C)CC1)CC2.
What is the InChIKey of [3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate?
The InChIKey is QEOCFMWEKOLKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-16(22)23-18-3-7-19(8-4-18)9-13-21(14-10-19)15-17-5-11-20(2)12-6-17/h17-18H,3-15H2,1-2H3.
What are the key properties of [3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate?
[3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate has a molecular weight of 322.49 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate is sourced from PubChem (CID 176694999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).