(4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone

C17H20N2O2 — CID 110695645

IUPAC(4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H20N2O2/c1-14-7-12-21-16(14)17(20)19-10-8-18(9-11-19)13-15-5-3-2-4-6-15/h2-7,12H,8-11,13H2,1H3
InChIKeyCRBZGEOSAGIOKV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.55
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone

(4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone (PubChem CID 110695645) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
PubChem CID110695645
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H20N2O2/c1-14-7-12-21-16(14)17(20)19-10-8-18(9-11-19)13-15-5-3-2-4-6-15/h2-7,12H,8-11,13H2,1H3
InChIKeyCRBZGEOSAGIOKV-UHFFFAOYSA-N
XLogP2.55
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methylfuran-2-yl)methanone
CID 51292568
[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 95346651
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide
CID 39302279
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 31608304
N-(2-chlorophenyl)-2-[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]acetamide
CID 31333538
(3-methylfuran-2-yl)-[4-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 26316109
(3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 26316106
(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111102
4-benzyl-3-ethyl-1-(3-methylfuran-2-carbonyl)-1,4-diazepan-5-one
CID 56880035
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
[(3S,4S)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 133119092
(4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone
CID 110853051

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone (CID 110695645) is (4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone?
The InChIKey is CRBZGEOSAGIOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-14-7-12-21-16(14)17(20)19-10-8-18(9-11-19)13-15-5-3-2-4-6-15/h2-7,12H,8-11,13H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone?
(4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 110695645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).