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

C18H30N4O — CID 97493588

IUPAC[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCN(C)CCN1CCCC12CCN(C(=O)c1cccn1C)CC2
InChIInChI=1S/C18H30N4O/c1-19(2)14-15-22-11-5-7-18(22)8-12-21(13-9-18)17(23)16-6-4-10-20(16)3/h4,6,10H,5,7-9,11-15H2,1-3H3
InChIKeyINARSTULJZZLAQ-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.66
Rot. Bonds4

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

[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 97493588) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID97493588
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCN(C)CCN1CCCC12CCN(C(=O)c1cccn1C)CC2
InChIInChI=1S/C18H30N4O/c1-19(2)14-15-22-11-5-7-18(22)8-12-21(13-9-18)17(23)16-6-4-10-20(16)3/h4,6,10H,5,7-9,11-15H2,1-3H3
InChIKeyINARSTULJZZLAQ-UHFFFAOYSA-N
XLogP1.66
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.66
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]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone (CID 97493588) is [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone is CN(C)CCN1CCCC12CCN(C(=O)c1cccn1C)CC2.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is INARSTULJZZLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-19(2)14-15-22-11-5-7-18(22)8-12-21(13-9-18)17(23)16-6-4-10-20(16)3/h4,6,10H,5,7-9,11-15H2,1-3H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone?
[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 318.46 g/mol, XLogP of 1.66, 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]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 97493588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).