(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

C15H18ClN3O2 — CID 120732206

IUPAC(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCNCC2c2cccnc2)o1.Cl
InChIInChI=1S/C15H17N3O2.ClH/c1-11-4-5-14(20-11)15(19)18-8-7-17-10-13(18)12-3-2-6-16-9-12;/h2-6,9,13,17H,7-8,10H2,1H3;1H
InChIKeyDPYDEZNVBBRCIS-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.19
Rot. Bonds2

About (5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120732206) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120732206
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCNCC2c2cccnc2)o1.Cl
InChIInChI=1S/C15H17N3O2.ClH/c1-11-4-5-14(20-11)15(19)18-8-7-17-10-13(18)12-3-2-6-16-9-12;/h2-6,9,13,17H,7-8,10H2,1H3;1H
InChIKeyDPYDEZNVBBRCIS-UHFFFAOYSA-N
XLogP2.19
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730947
2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride
CID 120729448
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729069
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120730091
(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984
N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 120731142
(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731694

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (CID 120732206) is (5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is Cc1ccc(C(=O)N2CCNCC2c2cccnc2)o1.Cl.
What is the InChIKey of (5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is DPYDEZNVBBRCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2.ClH/c1-11-4-5-14(20-11)15(19)18-8-7-17-10-13(18)12-3-2-6-16-9-12;/h2-6,9,13,17H,7-8,10H2,1H3;1H.
What are the key properties of (5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 307.78 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120732206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).