1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one

C19H29N3O3 — CID 175654805

IUPAC1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
SMILESCO[C@H]1CCN(C(=O)CCN(C)Cc2cccnc2)C[C@@]12CCCO2
InChIInChI=1S/C19H29N3O3/c1-21(14-16-5-3-9-20-13-16)10-7-18(23)22-11-6-17(24-2)19(15-22)8-4-12-25-19/h3,5,9,13,17H,4,6-8,10-12,14-15H2,1-2H3/t17-,19-/m0/s1
InChIKeyWNCUJHWQAGDCQP-HKUYNNGSSA-N
MW347.46 g/mol
LogP1.70
Rot. Bonds6

About 1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one

1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one (PubChem CID 175654805) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
PubChem CID175654805
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
SMILESCO[C@H]1CCN(C(=O)CCN(C)Cc2cccnc2)C[C@@]12CCCO2
InChIInChI=1S/C19H29N3O3/c1-21(14-16-5-3-9-20-13-16)10-7-18(23)22-11-6-17(24-2)19(15-22)8-4-12-25-19/h3,5,9,13,17H,4,6-8,10-12,14-15H2,1-2H3/t17-,19-/m0/s1
InChIKeyWNCUJHWQAGDCQP-HKUYNNGSSA-N
XLogP1.70
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one?
The IUPAC name of 1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one (CID 175654805) is 1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one.
What is the SMILES notation for 1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one?
The canonical SMILES for 1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one is CO[C@H]1CCN(C(=O)CCN(C)Cc2cccnc2)C[C@@]12CCCO2.
What is the InChIKey of 1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one?
The InChIKey is WNCUJHWQAGDCQP-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-21(14-16-5-3-9-20-13-16)10-7-18(23)22-11-6-17(24-2)19(15-22)8-4-12-25-19/h3,5,9,13,17H,4,6-8,10-12,14-15H2,1-2H3/t17-,19-/m0/s1.
What are the key properties of 1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one?
1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one has a molecular weight of 347.46 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one is sourced from PubChem (CID 175654805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).