(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,4-oxazepan-6-yl)methanone

C15H27N3O3 — CID 138809824

IUPAC(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,4-oxazepan-6-yl)methanone
SMILESCN1CCC2(CC1)CN(C(=O)C1CNCCOC1)CCO2
InChIInChI=1S/C15H27N3O3/c1-17-5-2-15(3-6-17)12-18(7-9-21-15)14(19)13-10-16-4-8-20-11-13/h13,16H,2-12H2,1H3
InChIKeyYVGORWOIVVHIKU-UHFFFAOYSA-N
MW297.40 g/mol
LogP-0.45
Rot. Bonds1

About (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,4-oxazepan-6-yl)methanone

(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,4-oxazepan-6-yl)methanone (PubChem CID 138809824) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,4-oxazepan-6-yl)methanone.

Molecular Properties

Compound Name(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,4-oxazepan-6-yl)methanone
PubChem CID138809824
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,4-oxazepan-6-yl)methanone
SMILESCN1CCC2(CC1)CN(C(=O)C1CNCCOC1)CCO2
InChIInChI=1S/C15H27N3O3/c1-17-5-2-15(3-6-17)12-18(7-9-21-15)14(19)13-10-16-4-8-20-11-13/h13,16H,2-12H2,1H3
InChIKeyYVGORWOIVVHIKU-UHFFFAOYSA-N
XLogP-0.45
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxa-2,8-diazaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanone
CID 131651947
1,4-oxazepan-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone;hydrochloride
CID 163341356
azetidin-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 50951587
[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1,4-oxazepan-6-yl)methanone;hydrochloride
CID 154919510
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
(9-amino-1-oxa-4-azaspiro[5.5]undecan-4-yl)-cyclobutylmethanone
CID 165470181
1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-3-methylsulfonylpropan-1-one
CID 138382170
(1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 122134875
N-methyl-1,4-oxazepane-6-carboxamide
CID 66510045
2-oxa-7-azaspiro[4.4]nonan-7-yl(piperidin-3-yl)methanone
CID 119340778
(4,4-difluorocyclohexyl)-(9-imino-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 146114590
2-methyl-4-(piperidine-4-carbonyl)morpholine-2-carboxamide
CID 73439530

Frequently Asked Questions

What is the IUPAC name of (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,4-oxazepan-6-yl)methanone?
The IUPAC name of (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,4-oxazepan-6-yl)methanone (CID 138809824) is (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,4-oxazepan-6-yl)methanone.
What is the SMILES notation for (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,4-oxazepan-6-yl)methanone?
The canonical SMILES for (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,4-oxazepan-6-yl)methanone is CN1CCC2(CC1)CN(C(=O)C1CNCCOC1)CCO2.
What is the InChIKey of (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,4-oxazepan-6-yl)methanone?
The InChIKey is YVGORWOIVVHIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-17-5-2-15(3-6-17)12-18(7-9-21-15)14(19)13-10-16-4-8-20-11-13/h13,16H,2-12H2,1H3.
What are the key properties of (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,4-oxazepan-6-yl)methanone?
(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,4-oxazepan-6-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,4-oxazepan-6-yl)methanone is sourced from PubChem (CID 138809824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).