(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one

C17H30N2O3 — CID 94145487

IUPAC(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
SMILESC[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H30N2O3/c1-13-5-4-6-14(2)19(13)16(20)15(3)18-9-7-17(8-10-18)21-11-12-22-17/h13-15H,4-12H2,1-3H3/t13-,14-,15+/m0/s1
InChIKeyDIZYSUQVDMSXTP-SOUVJXGZSA-N
MW310.44 g/mol
LogP2.00
Rot. Bonds2

About (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one

(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one (PubChem CID 94145487) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
PubChem CID94145487
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
SMILESC[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H30N2O3/c1-13-5-4-6-14(2)19(13)16(20)15(3)18-9-7-17(8-10-18)21-11-12-22-17/h13-15H,4-12H2,1-3H3/t13-,14-,15+/m0/s1
InChIKeyDIZYSUQVDMSXTP-SOUVJXGZSA-N
XLogP2.00
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The IUPAC name of (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one (CID 94145487) is (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one.
What is the SMILES notation for (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The canonical SMILES for (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one is C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCC2(CC1)OCCO2.
What is the InChIKey of (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The InChIKey is DIZYSUQVDMSXTP-SOUVJXGZSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-13-5-4-6-14(2)19(13)16(20)15(3)18-9-7-17(8-10-18)21-11-12-22-17/h13-15H,4-12H2,1-3H3/t13-,14-,15+/m0/s1.
What are the key properties of (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one has a molecular weight of 310.44 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one is sourced from PubChem (CID 94145487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).