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

C17H28N4O — CID 131687181

IUPAC[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone
SMILESCN(C)CCN1CCCC12CCN(C(=O)c1cc[nH]c1)CC2
InChIInChI=1S/C17H28N4O/c1-19(2)12-13-21-9-3-5-17(21)6-10-20(11-7-17)16(22)15-4-8-18-14-15/h4,8,14,18H,3,5-7,9-13H2,1-2H3
InChIKeyDPHUDVPOLDFVOM-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.65
Rot. Bonds4

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

[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 131687181) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID131687181
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone
SMILESCN(C)CCN1CCCC12CCN(C(=O)c1cc[nH]c1)CC2
InChIInChI=1S/C17H28N4O/c1-19(2)12-13-21-9-3-5-17(21)6-10-20(11-7-17)16(22)15-4-8-18-14-15/h4,8,14,18H,3,5-7,9-13H2,1-2H3
InChIKeyDPHUDVPOLDFVOM-UHFFFAOYSA-N
XLogP1.65
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-9-(1H-pyrrole-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155869854
[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone
CID 131687415
(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone
CID 131687718
[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(4-methylcyclohexyl)methanone
CID 131686362
[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97493563
[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone
CID 134070329
azepan-1-yl(1H-pyrrol-3-yl)methanone
CID 110691126
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1H-pyrrol-3-yl)methanone
CID 110691096
[4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814773
(3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97396880
(3-fluorophenyl)-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone
CID 131687377
[2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone
CID 131688880

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone (CID 131687181) is [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone is CN(C)CCN1CCCC12CCN(C(=O)c1cc[nH]c1)CC2.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is DPHUDVPOLDFVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-19(2)12-13-21-9-3-5-17(21)6-10-20(11-7-17)16(22)15-4-8-18-14-15/h4,8,14,18H,3,5-7,9-13H2,1-2H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone?
[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 304.44 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 131687181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).