(4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone

C10H16N4O — CID 43641928

IUPAC(4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(N)c[nH]2)CC1
InChIInChI=1S/C10H16N4O/c1-13-2-4-14(5-3-13)10(15)9-6-8(11)7-12-9/h6-7,12H,2-5,11H2,1H3
InChIKeyHOUYKKMPUCESOH-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.02
Rot. Bonds1

About (4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone

(4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 43641928) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID43641928
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(N)c[nH]2)CC1
InChIInChI=1S/C10H16N4O/c1-13-2-4-14(5-3-13)10(15)9-6-8(11)7-12-9/h6-7,12H,2-5,11H2,1H3
InChIKeyHOUYKKMPUCESOH-UHFFFAOYSA-N
XLogP-0.02
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 61139010
(4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 43642134
(4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43642092
(4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63604483
(4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666945
(4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 61110949
1-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one
CID 63004263
(4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 61140524
2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
CID 61110354
(4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 61114248
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-1H-pyrrol-2-yl)methanone
CID 115558672
(4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43644014

Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 43641928) is (4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc(N)c[nH]2)CC1.
What is the InChIKey of (4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is HOUYKKMPUCESOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-2-4-14(5-3-13)10(15)9-6-8(11)7-12-9/h6-7,12H,2-5,11H2,1H3.
What are the key properties of (4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone?
(4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of -0.02, 1 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-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 43641928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).