[4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone

C15H24N4O2 — CID 114610444

IUPAC[4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
SMILESCOCCn1cccc1C(=O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C15H24N4O2/c1-21-10-9-18-4-2-3-14(18)15(20)19-7-5-17(6-8-19)13-11-16-12-13/h2-4,13,16H,5-12H2,1H3
InChIKeyPFWSANBHAGYGSX-UHFFFAOYSA-N
MW292.38 g/mol
LogP-0.14
Rot. Bonds5

About [4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone

[4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone (PubChem CID 114610444) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name[4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
PubChem CID114610444
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
SMILESCOCCn1cccc1C(=O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C15H24N4O2/c1-21-10-9-18-4-2-3-14(18)15(20)19-7-5-17(6-8-19)13-11-16-12-13/h2-4,13,16H,5-12H2,1H3
InChIKeyPFWSANBHAGYGSX-UHFFFAOYSA-N
XLogP-0.14
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610014
4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one
CID 114609871
[2-(hydroxymethyl)morpholin-4-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114609732
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
piperazin-1-yl-(1-propylpyrrol-2-yl)methanone
CID 43639000
1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102775450
(4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610606
[2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610328
[4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 107690345
[4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-1-methylpyrrol-2-yl)methanone
CID 66202146
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608589
(1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66196928

Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone?
The IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone (CID 114610444) is [4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone.
What is the SMILES notation for [4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone?
The canonical SMILES for [4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone is COCCn1cccc1C(=O)N1CCN(C2CNC2)CC1.
What is the InChIKey of [4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone?
The InChIKey is PFWSANBHAGYGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-21-10-9-18-4-2-3-14(18)15(20)19-7-5-17(6-8-19)13-11-16-12-13/h2-4,13,16H,5-12H2,1H3.
What are the key properties of [4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone?
[4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 114610444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).