cyclopropyl-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone

C16H29N3O2 — CID 97491895

IUPACcyclopropyl-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCN(C)CCN1CCOCC12CCN(C(=O)C1CC1)CC2
InChIInChI=1S/C16H29N3O2/c1-17(2)9-10-19-11-12-21-13-16(19)5-7-18(8-6-16)15(20)14-3-4-14/h14H,3-13H2,1-2H3
InChIKeyBCGRUHKACUJZOO-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.65
Rot. Bonds4

About cyclopropyl-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone

cyclopropyl-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 97491895) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is cyclopropyl-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID97491895
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Namecyclopropyl-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCN(C)CCN1CCOCC12CCN(C(=O)C1CC1)CC2
InChIInChI=1S/C16H29N3O2/c1-17(2)9-10-19-11-12-21-13-16(19)5-7-18(8-6-16)15(20)14-3-4-14/h14H,3-13H2,1-2H3
InChIKeyBCGRUHKACUJZOO-UHFFFAOYSA-N
XLogP0.65
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of cyclopropyl-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 97491895) is cyclopropyl-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone is CN(C)CCN1CCOCC12CCN(C(=O)C1CC1)CC2.
What is the InChIKey of cyclopropyl-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is BCGRUHKACUJZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-17(2)9-10-19-11-12-21-13-16(19)5-7-18(8-6-16)15(20)14-3-4-14/h14H,3-13H2,1-2H3.
What are the key properties of cyclopropyl-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone?
cyclopropyl-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 295.43 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 97491895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).