(4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride

C16H19ClN2O2 — CID 163329487

IUPAC(4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride
SMILESCN1CCN(C(=O)c2ccc(-c3ccccc3)o2)CC1.Cl
InChIInChI=1S/C16H18N2O2.ClH/c1-17-9-11-18(12-10-17)16(19)15-8-7-14(20-15)13-5-3-2-4-6-13;/h2-8H,9-12H2,1H3;1H
InChIKeyBBRROPTXDWWHOO-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.76
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride

(4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride (PubChem CID 163329487) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride
PubChem CID163329487
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name(4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride
SMILESCN1CCN(C(=O)c2ccc(-c3ccccc3)o2)CC1.Cl
InChIInChI=1S/C16H18N2O2.ClH/c1-17-9-11-18(12-10-17)16(19)15-8-7-14(20-15)13-5-3-2-4-6-13;/h2-8H,9-12H2,1H3;1H
InChIKeyBBRROPTXDWWHOO-UHFFFAOYSA-N
XLogP2.76
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone
CID 44585644
cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 166208842
3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one
CID 166205934
[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
[5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone
CID 44585671
[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 134697428
[5-(4-fluorophenyl)furan-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17447640
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 131899516
[5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone
CID 70036380
2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide
CID 16603865
(4-benzylpiperazin-4-ium-1-yl)-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 9071291
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride?
The IUPAC name of (4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride (CID 163329487) is (4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride?
The canonical SMILES for (4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride is CN1CCN(C(=O)c2ccc(-c3ccccc3)o2)CC1.Cl.
What is the InChIKey of (4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride?
The InChIKey is BBRROPTXDWWHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2.ClH/c1-17-9-11-18(12-10-17)16(19)15-8-7-14(20-15)13-5-3-2-4-6-13;/h2-8H,9-12H2,1H3;1H.
What are the key properties of (4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride?
(4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride has a molecular weight of 306.79 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride is sourced from PubChem (CID 163329487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).