(4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone

C17H17ClN2O3 — CID 46550663

IUPAC(4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C17H17ClN2O3/c1-12-2-7-15(23-12)17(22)20-10-8-19(9-11-20)16(21)13-3-5-14(18)6-4-13/h2-7H,8-11H2,1H3
InChIKeyUSWCHVNTDLHALY-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.84
Rot. Bonds2

About (4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone

(4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 46550663) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone
PubChem CID46550663
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name(4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C17H17ClN2O3/c1-12-2-7-15(23-12)17(22)20-10-8-19(9-11-20)16(21)13-3-5-14(18)6-4-13/h2-7H,8-11H2,1H3
InChIKeyUSWCHVNTDLHALY-UHFFFAOYSA-N
XLogP2.84
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43251608
(4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 51076533
[4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43251796
(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 80661568
[4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 110802860
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495911
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 63393820
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110365515
[4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 86879585
(5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 29421852
2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone
CID 39566324
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 95758944

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone (CID 46550663) is (4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1.
What is the InChIKey of (4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is USWCHVNTDLHALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-12-2-7-15(23-12)17(22)20-10-8-19(9-11-20)16(21)13-3-5-14(18)6-4-13/h2-7H,8-11H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 332.79 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 46550663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).