[4-(morpholine-4-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate

C15H26N2O4 — CID 174964171

IUPAC[4-(morpholine-4-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)14(19)21-17-6-4-12(5-7-17)13(18)16-8-10-20-11-9-16/h12H,4-11H2,1-3H3
InChIKeyPNIQINDAWPPYDW-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.06
Rot. Bonds2

About [4-(morpholine-4-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate

[4-(morpholine-4-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174964171) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is [4-(morpholine-4-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(morpholine-4-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174964171
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name[4-(morpholine-4-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)14(19)21-17-6-4-12(5-7-17)13(18)16-8-10-20-11-9-16/h12H,4-11H2,1-3H3
InChIKeyPNIQINDAWPPYDW-UHFFFAOYSA-N
XLogP1.06
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-tert-butylpiperidin-4-yl)-morpholin-4-ylmethanone
CID 21061611
[4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 175276230
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
(4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane
CID 164918983
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110604424
cyclopropyl-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110346881
[(3S)-3-acetylpyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174712806
[1-(2-methylpropyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 883920
tert-butyl 4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxylate;ethane
CID 143680712
[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174751295
(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174553162

Frequently Asked Questions

What is the IUPAC name of [4-(morpholine-4-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(morpholine-4-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174964171) is [4-(morpholine-4-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(morpholine-4-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(morpholine-4-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [4-(morpholine-4-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is PNIQINDAWPPYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,3)14(19)21-17-6-4-12(5-7-17)13(18)16-8-10-20-11-9-16/h12H,4-11H2,1-3H3.
What are the key properties of [4-(morpholine-4-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate?
[4-(morpholine-4-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 298.38 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(morpholine-4-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174964171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).