(4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone

C14H24N4O — CID 43642162

IUPAC(4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCCn1cc(N)cc1C(=O)N1CCN(CC)CC1
InChIInChI=1S/C14H24N4O/c1-3-5-18-11-12(15)10-13(18)14(19)17-8-6-16(4-2)7-9-17/h10-11H,3-9,15H2,1-2H3
InChIKeyUIAYQDOHNUMHOD-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.26
Rot. Bonds4

About (4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone

(4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 43642162) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID43642162
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCCn1cc(N)cc1C(=O)N1CCN(CC)CC1
InChIInChI=1S/C14H24N4O/c1-3-5-18-11-12(15)10-13(18)14(19)17-8-6-16(4-2)7-9-17/h10-11H,3-9,15H2,1-2H3
InChIKeyUIAYQDOHNUMHOD-UHFFFAOYSA-N
XLogP1.26
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096346
(4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79187908
(4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43644030
(4-amino-1-propylpyrrol-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211714
1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 61106835
(4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62774779
(4-amino-1-propylpyrrol-2-yl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63149723
(4-amino-1-propylpyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209719
(4-amino-1-methylpyrrol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62886059
(4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone
CID 53014171
4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 114398981
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone (CID 43642162) is (4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone is CCCn1cc(N)cc1C(=O)N1CCN(CC)CC1.
What is the InChIKey of (4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is UIAYQDOHNUMHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-5-18-11-12(15)10-13(18)14(19)17-8-6-16(4-2)7-9-17/h10-11H,3-9,15H2,1-2H3.
What are the key properties of (4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
(4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 43642162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).