N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide

C17H29N3O3 — CID 131697076

IUPACN-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
SMILESCNC(=O)CN1CCC2(CCCN(C(=O)C3CCOC3)C2)CC1
InChIInChI=1S/C17H29N3O3/c1-18-15(21)11-19-8-5-17(6-9-19)4-2-7-20(13-17)16(22)14-3-10-23-12-14/h14H,2-13H2,1H3,(H,18,21)
InChIKeyMYGKZXDKQVXJDI-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.47
Rot. Bonds3

About N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide

N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide (PubChem CID 131697076) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
PubChem CID131697076
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC NameN-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
SMILESCNC(=O)CN1CCC2(CCCN(C(=O)C3CCOC3)C2)CC1
InChIInChI=1S/C17H29N3O3/c1-18-15(21)11-19-8-5-17(6-9-19)4-2-7-20(13-17)16(22)14-3-10-23-12-14/h14H,2-13H2,1H3,(H,18,21)
InChIKeyMYGKZXDKQVXJDI-UHFFFAOYSA-N
XLogP0.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone
CID 134076233
2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone
CID 104750677
N-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 97393811
cyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone
CID 97484588
2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
CID 97397965
(3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane
CID 144942244
2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide
CID 97393813
2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 86850684
2-[2-(2-hydroxy-2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide
CID 97393800
cyclobutyl-[9-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone
CID 97484565
N,N-dimethyl-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 131905064
N-[(1S,3R)-3-methylcyclohexyl]-2-[4-[(3R)-oxolane-3-carbonyl]piperazin-1-yl]acetamide
CID 95617402

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide?
The IUPAC name of N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide (CID 131697076) is N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide is CNC(=O)CN1CCC2(CCCN(C(=O)C3CCOC3)C2)CC1.
What is the InChIKey of N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide?
The InChIKey is MYGKZXDKQVXJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-18-15(21)11-19-8-5-17(6-9-19)4-2-7-20(13-17)16(22)14-3-10-23-12-14/h14H,2-13H2,1H3,(H,18,21).
What are the key properties of N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide?
N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide is sourced from PubChem (CID 131697076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).