3-methoxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one

C19H25N3O4 — CID 91925525

IUPAC3-methoxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCOC1C(=O)N(C2CCN(C(=O)c3cccnc3)CC2)C12CCOCC2
InChIInChI=1S/C19H25N3O4/c1-25-16-18(24)22(19(16)6-11-26-12-7-19)15-4-9-21(10-5-15)17(23)14-3-2-8-20-13-14/h2-3,8,13,15-16H,4-7,9-12H2,1H3
InChIKeyGSQBBOINUFDMPM-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.09
Rot. Bonds3

About 3-methoxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one

3-methoxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one (PubChem CID 91925525) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-methoxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name3-methoxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
PubChem CID91925525
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name3-methoxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCOC1C(=O)N(C2CCN(C(=O)c3cccnc3)CC2)C12CCOCC2
InChIInChI=1S/C19H25N3O4/c1-25-16-18(24)22(19(16)6-11-26-12-7-19)15-4-9-21(10-5-15)17(23)14-3-2-8-20-13-14/h2-3,8,13,15-16H,4-7,9-12H2,1H3
InChIKeyGSQBBOINUFDMPM-UHFFFAOYSA-N
XLogP1.09
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
3-(cyclopropylmethoxy)-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91912907
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-pyridin-3-ylmethanone
CID 97451282
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
N-(oxan-4-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 91916198
[4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 138380400
[4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-pyridin-3-ylmethanone
CID 131660194
1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone
CID 24733831
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 3-methoxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one (CID 91925525) is 3-methoxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 3-methoxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 3-methoxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one is COC1C(=O)N(C2CCN(C(=O)c3cccnc3)CC2)C12CCOCC2.
What is the InChIKey of 3-methoxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
The InChIKey is GSQBBOINUFDMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-25-16-18(24)22(19(16)6-11-26-12-7-19)15-4-9-21(10-5-15)17(23)14-3-2-8-20-13-14/h2-3,8,13,15-16H,4-7,9-12H2,1H3.
What are the key properties of 3-methoxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
3-methoxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one has a molecular weight of 359.43 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 91925525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).