[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone

C17H27N3O2 — CID 97396901

IUPAC[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
SMILESCN(C)CCN1CCCC12CCN(C(=O)c1ccoc1)CC2
InChIInChI=1S/C17H27N3O2/c1-18(2)11-12-20-8-3-5-17(20)6-9-19(10-7-17)16(21)15-4-13-22-14-15/h4,13-14H,3,5-12H2,1-2H3
InChIKeySYPJCJRKRWOUQT-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.91
Rot. Bonds4

About [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone

[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone (PubChem CID 97396901) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
PubChem CID97396901
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
SMILESCN(C)CCN1CCCC12CCN(C(=O)c1ccoc1)CC2
InChIInChI=1S/C17H27N3O2/c1-18(2)11-12-20-8-3-5-17(20)6-9-19(10-7-17)16(21)15-4-13-22-14-15/h4,13-14H,3,5-12H2,1-2H3
InChIKeySYPJCJRKRWOUQT-UHFFFAOYSA-N
XLogP1.91
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone (CID 97396901) is [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone is CN(C)CCN1CCCC12CCN(C(=O)c1ccoc1)CC2.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone?
The InChIKey is SYPJCJRKRWOUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-18(2)11-12-20-8-3-5-17(20)6-9-19(10-7-17)16(21)15-4-13-22-14-15/h4,13-14H,3,5-12H2,1-2H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone?
[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone has a molecular weight of 305.42 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 97396901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).