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

C12H20N4O — CID 43642134

IUPAC(4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cc(N)c[nH]2)CC1
InChIInChI=1S/C12H20N4O/c1-2-3-15-4-6-16(7-5-15)12(17)11-8-10(13)9-14-11/h8-9,14H,2-7,13H2,1H3
InChIKeyRSKHLEWNJYHNJE-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.76
Rot. Bonds3

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

(4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone (PubChem CID 43642134) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone
PubChem CID43642134
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cc(N)c[nH]2)CC1
InChIInChI=1S/C12H20N4O/c1-2-3-15-4-6-16(7-5-15)12(17)11-8-10(13)9-14-11/h8-9,14H,2-7,13H2,1H3
InChIKeyRSKHLEWNJYHNJE-UHFFFAOYSA-N
XLogP0.76
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43641928
4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 61139010
(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)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 61140524
(4-bromo-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 43410882
(5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789612
2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
CID 61110354
(4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666945
(4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43644014
(4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 61110949
(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43582709

Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone (CID 43642134) is (4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2cc(N)c[nH]2)CC1.
What is the InChIKey of (4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone?
The InChIKey is RSKHLEWNJYHNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-3-15-4-6-16(7-5-15)12(17)11-8-10(13)9-14-11/h8-9,14H,2-7,13H2,1H3.
What are the key properties of (4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone?
(4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 0.76, 3 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-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 43642134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).