1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

C14H19N3O — CID 121229674

IUPAC1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC(c2ccncc2)C12CCNCC2
InChIInChI=1S/C14H19N3O/c1-17-13(18)10-12(11-2-6-15-7-3-11)14(17)4-8-16-9-5-14/h2-3,6-7,12,16H,4-5,8-10H2,1H3
InChIKeyMOVTULABPFFELM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.15
Rot. Bonds1

About 1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 121229674) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID121229674
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC(c2ccncc2)C12CCNCC2
InChIInChI=1S/C14H19N3O/c1-17-13(18)10-12(11-2-6-15-7-3-11)14(17)4-8-16-9-5-14/h2-3,6-7,12,16H,4-5,8-10H2,1H3
InChIKeyMOVTULABPFFELM-UHFFFAOYSA-N
XLogP1.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cotinine
CID 854019
(+-)-Cotinine
CID 408
Norcotinine
CID 413
Daporinad
CID 6914657
Ximelegatran
CID 448042
Rogletimide
CID 56487
cotinine N-oxide
CID 9815514
(4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
CID 139953895
C3A receptor agonist
CID 44430519
R-(+)-Cotinine
CID 21907
N-(2-(Pyridin-2-yl)ethyl)-3-p-menthanecarboxamide
CID 56969824
N-Acetylnornicotine
CID 165384

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (CID 121229674) is 1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)CC(c2ccncc2)C12CCNCC2.
What is the InChIKey of 1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is MOVTULABPFFELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-13(18)10-12(11-2-6-15-7-3-11)14(17)4-8-16-9-5-14/h2-3,6-7,12,16H,4-5,8-10H2,1H3.
What are the key properties of 1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 121229674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).