(4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone

C16H20N4O — CID 61110949

IUPAC(4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cc(N)c[nH]2)CC1
InChIInChI=1S/C16H20N4O/c1-12-4-2-3-5-15(12)19-6-8-20(9-7-19)16(21)14-10-13(17)11-18-14/h2-5,10-11,18H,6-9,17H2,1H3
InChIKeyLCSISVSPEOXWFN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.87
Rot. Bonds2

About (4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone

(4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 61110949) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID61110949
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cc(N)c[nH]2)CC1
InChIInChI=1S/C16H20N4O/c1-12-4-2-3-5-15(12)19-6-8-20(9-7-19)16(21)14-10-13(17)11-18-14/h2-5,10-11,18H,6-9,17H2,1H3
InChIKeyLCSISVSPEOXWFN-UHFFFAOYSA-N
XLogP1.87
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-1H-pyrazol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 64523270
(4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43641928
[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]-(2-methylphenyl)methanone
CID 1489210
(3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 9151566
4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 61139010
(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249489
(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 31113066
(Z)-1-[4-(2-methylphenyl)piperazin-1-yl]but-2-en-1-one
CID 97305216
(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111102
[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 18111082
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
(5-amino-2-methylphenyl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 120639418

Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 61110949) is (4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)c2cc(N)c[nH]2)CC1.
What is the InChIKey of (4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is LCSISVSPEOXWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-4-2-3-5-15(12)19-6-8-20(9-7-19)16(21)14-10-13(17)11-18-14/h2-5,10-11,18H,6-9,17H2,1H3.
What are the key properties of (4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
(4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 284.36 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 61110949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).