(1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone

C13H20N4O — CID 66196928

IUPAC(1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
SMILESCn1cccc1C(=O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C13H20N4O/c1-15-6-2-3-12(15)13(18)17-9-11(10-17)16-7-4-14-5-8-16/h2-3,6,11,14H,4-5,7-10H2,1H3
InChIKeyDLHXBXAGZZJWJC-UHFFFAOYSA-N
MW248.33 g/mol
LogP-0.25
Rot. Bonds2

About (1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone

(1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone (PubChem CID 66196928) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
PubChem CID66196928
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
SMILESCn1cccc1C(=O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C13H20N4O/c1-15-6-2-3-12(15)13(18)17-9-11(10-17)16-7-4-14-5-8-16/h2-3,6,11,14H,4-5,7-10H2,1H3
InChIKeyDLHXBXAGZZJWJC-UHFFFAOYSA-N
XLogP-0.25
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 65416595
(3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 103511608
(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 119580519
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 80553966
(3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 79994014
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl-(1-methylpyrrol-2-yl)methanone
CID 102680206
[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 133139984
(3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716093
(3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66203985
(3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66203007
(3-iodophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66202818
1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 59625808

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone (CID 66196928) is (1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone is Cn1cccc1C(=O)N1CC(N2CCNCC2)C1.
What is the InChIKey of (1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The InChIKey is DLHXBXAGZZJWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-15-6-2-3-12(15)13(18)17-9-11(10-17)16-7-4-14-5-8-16/h2-3,6,11,14H,4-5,7-10H2,1H3.
What are the key properties of (1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
(1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 66196928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).