1-(2,5-dihydropyrrol-1-yl)-2-(3-pyridin-2-yl-3-azaspiro[5.5]undecan-9-yl)ethanone

C21H29N3O — CID 97451315

IUPAC1-(2,5-dihydropyrrol-1-yl)-2-(3-pyridin-2-yl-3-azaspiro[5.5]undecan-9-yl)ethanone
SMILESO=C(CC1CCC2(CC1)CCN(c1ccccn1)CC2)N1CC=CC1
InChIInChI=1S/C21H29N3O/c25-20(24-13-3-4-14-24)17-18-6-8-21(9-7-18)10-15-23(16-11-21)19-5-1-2-12-22-19/h1-5,12,18H,6-11,13-17H2
InChIKeyMNYVYZUHZPIXRS-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.65
Rot. Bonds3

About 1-(2,5-dihydropyrrol-1-yl)-2-(3-pyridin-2-yl-3-azaspiro[5.5]undecan-9-yl)ethanone

1-(2,5-dihydropyrrol-1-yl)-2-(3-pyridin-2-yl-3-azaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 97451315) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(2,5-dihydropyrrol-1-yl)-2-(3-pyridin-2-yl-3-azaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dihydropyrrol-1-yl)-2-(3-pyridin-2-yl-3-azaspiro[5.5]undecan-9-yl)ethanone
PubChem CID97451315
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name1-(2,5-dihydropyrrol-1-yl)-2-(3-pyridin-2-yl-3-azaspiro[5.5]undecan-9-yl)ethanone
SMILESO=C(CC1CCC2(CC1)CCN(c1ccccn1)CC2)N1CC=CC1
InChIInChI=1S/C21H29N3O/c25-20(24-13-3-4-14-24)17-18-6-8-21(9-7-18)10-15-23(16-11-21)19-5-1-2-12-22-19/h1-5,12,18H,6-11,13-17H2
InChIKeyMNYVYZUHZPIXRS-UHFFFAOYSA-N
XLogP3.65
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 175648113
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CID 110854887
N-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
CID 53005028
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
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2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid
CID 66880578
(1-pyridin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 140971287
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
(5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 124861250
N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide
CID 97451304
2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108814544
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydropyrrol-1-yl)-2-(3-pyridin-2-yl-3-azaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 1-(2,5-dihydropyrrol-1-yl)-2-(3-pyridin-2-yl-3-azaspiro[5.5]undecan-9-yl)ethanone (CID 97451315) is 1-(2,5-dihydropyrrol-1-yl)-2-(3-pyridin-2-yl-3-azaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 1-(2,5-dihydropyrrol-1-yl)-2-(3-pyridin-2-yl-3-azaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 1-(2,5-dihydropyrrol-1-yl)-2-(3-pyridin-2-yl-3-azaspiro[5.5]undecan-9-yl)ethanone is O=C(CC1CCC2(CC1)CCN(c1ccccn1)CC2)N1CC=CC1.
What is the InChIKey of 1-(2,5-dihydropyrrol-1-yl)-2-(3-pyridin-2-yl-3-azaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is MNYVYZUHZPIXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c25-20(24-13-3-4-14-24)17-18-6-8-21(9-7-18)10-15-23(16-11-21)19-5-1-2-12-22-19/h1-5,12,18H,6-11,13-17H2.
What are the key properties of 1-(2,5-dihydropyrrol-1-yl)-2-(3-pyridin-2-yl-3-azaspiro[5.5]undecan-9-yl)ethanone?
1-(2,5-dihydropyrrol-1-yl)-2-(3-pyridin-2-yl-3-azaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 339.48 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydropyrrol-1-yl)-2-(3-pyridin-2-yl-3-azaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 97451315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).