(4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C16H26N4O — CID 61114321

IUPAC(4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2cc(N)cn2C2CC2)CC1
InChIInChI=1S/C16H26N4O/c1-12(2)10-18-5-7-19(8-6-18)16(21)15-9-13(17)11-20(15)14-3-4-14/h9,11-12,14H,3-8,10,17H2,1-2H3
InChIKeyDRHDJHFXROQREO-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.82
Rot. Bonds4

About (4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 61114321) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID61114321
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2cc(N)cn2C2CC2)CC1
InChIInChI=1S/C16H26N4O/c1-12(2)10-18-5-7-19(8-6-18)16(21)15-9-13(17)11-20(15)14-3-4-14/h9,11-12,14H,3-8,10,17H2,1-2H3
InChIKeyDRHDJHFXROQREO-UHFFFAOYSA-N
XLogP1.82
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone
CID 43642310
(4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62090534
(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
4-amino-1-cyclopropyl-N-(3-ethylpentan-2-yl)pyrrole-2-carboxamide
CID 63842385
7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095542
2-methylbutyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 62104592
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43641790
4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
CID 83176737
4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43643307
4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide
CID 64569791

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 61114321) is (4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)c2cc(N)cn2C2CC2)CC1.
What is the InChIKey of (4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is DRHDJHFXROQREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)10-18-5-7-19(8-6-18)16(21)15-9-13(17)11-20(15)14-3-4-14/h9,11-12,14H,3-8,10,17H2,1-2H3.
What are the key properties of (4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 61114321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).