1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone

C14H20N4O2 — CID 43642310

IUPAC1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(N)cn2C2CC2)CC1
InChIInChI=1S/C14H20N4O2/c1-10(19)16-4-6-17(7-5-16)14(20)13-8-11(15)9-18(13)12-2-3-12/h8-9,12H,2-7,15H2,1H3
InChIKeyMUIFUYIFPOXGNE-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.71
Rot. Bonds2

About 1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone

1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 43642310) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID43642310
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(N)cn2C2CC2)CC1
InChIInChI=1S/C14H20N4O2/c1-10(19)16-4-6-17(7-5-16)14(20)13-8-11(15)9-18(13)12-2-3-12/h8-9,12H,2-7,15H2,1H3
InChIKeyMUIFUYIFPOXGNE-UHFFFAOYSA-N
XLogP0.71
TPSA71.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62090534
(4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 61114321
(4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113416742
(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64568402
(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43644082
7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095542
(4-amino-1-cyclopropylpyrrol-2-yl)-(oxazinan-2-yl)methanone
CID 113375296
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43640610
(4-amino-1-cyclopropylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882182
2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314738
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43641790
4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide
CID 61040589

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone (CID 43642310) is 1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(N)cn2C2CC2)CC1.
What is the InChIKey of 1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is MUIFUYIFPOXGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(19)16-4-6-17(7-5-16)14(20)13-8-11(15)9-18(13)12-2-3-12/h8-9,12H,2-7,15H2,1H3.
What are the key properties of 1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone?
1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 276.34 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 43642310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).