(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone

C16H28N2O2 — CID 97399383

IUPAC(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone
SMILESCN1CCCCC12CCN(C(=O)C1CCOCC1)CC2
InChIInChI=1S/C16H28N2O2/c1-17-9-3-2-6-16(17)7-10-18(11-8-16)15(19)14-4-12-20-13-5-14/h14H,2-13H2,1H3
InChIKeyCRINMQBVYSHWDU-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.89
Rot. Bonds1

About (1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone

(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone (PubChem CID 97399383) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone
PubChem CID97399383
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone
SMILESCN1CCCCC12CCN(C(=O)C1CCOCC1)CC2
InChIInChI=1S/C16H28N2O2/c1-17-9-3-2-6-16(17)7-10-18(11-8-16)15(19)14-4-12-20-13-5-14/h14H,2-13H2,1H3
InChIKeyCRINMQBVYSHWDU-UHFFFAOYSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 167748233
(6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97373256
N'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide
CID 107162353
4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493390
1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 91914380
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611
cyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97491865
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 112537685
(5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895110
1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134072393
oxan-4-yl-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]methanone
CID 134160460

Frequently Asked Questions

What is the IUPAC name of (1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone?
The IUPAC name of (1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone (CID 97399383) is (1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone is CN1CCCCC12CCN(C(=O)C1CCOCC1)CC2.
What is the InChIKey of (1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone?
The InChIKey is CRINMQBVYSHWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-17-9-3-2-6-16(17)7-10-18(11-8-16)15(19)14-4-12-20-13-5-14/h14H,2-13H2,1H3.
What are the key properties of (1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone?
(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone has a molecular weight of 280.41 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 97399383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).