1-(4-aminopiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropan-1-one

C16H29N3O3 — CID 39317049

IUPAC1-(4-aminopiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCC(N)CC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H29N3O3/c1-15(2,14(20)18-7-3-13(17)4-8-18)19-9-5-16(6-10-19)21-11-12-22-16/h13H,3-12,17H2,1-2H3
InChIKeyUIWPOOQWKSGZLD-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.55
Rot. Bonds2

About 1-(4-aminopiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropan-1-one

1-(4-aminopiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropan-1-one (PubChem CID 39317049) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropan-1-one
PubChem CID39317049
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCC(N)CC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H29N3O3/c1-15(2,14(20)18-7-3-13(17)4-8-18)19-9-5-16(6-10-19)21-11-12-22-16/h13H,3-12,17H2,1-2H3
InChIKeyUIWPOOQWKSGZLD-UHFFFAOYSA-N
XLogP0.55
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropan-1-one (CID 39317049) is 1-(4-aminopiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropan-1-one is CC(C)(C(=O)N1CCC(N)CC1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropan-1-one?
The InChIKey is UIWPOOQWKSGZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-15(2,14(20)18-7-3-13(17)4-8-18)19-9-5-16(6-10-19)21-11-12-22-16/h13H,3-12,17H2,1-2H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropan-1-one?
1-(4-aminopiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropan-1-one has a molecular weight of 311.43 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropan-1-one is sourced from PubChem (CID 39317049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).