[4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone

C23H31N3O2 — CID 97149202

IUPAC[4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
SMILESC[C@H](C1CCN(C(=O)c2ccc(-c3ccco3)cc2)CC1)N1CCN(C)CC1
InChIInChI=1S/C23H31N3O2/c1-18(25-15-13-24(2)14-16-25)19-9-11-26(12-10-19)23(27)21-7-5-20(6-8-21)22-4-3-17-28-22/h3-8,17-19H,9-16H2,1-2H3/t18-/m1/s1
InChIKeyQCGFOSVTTCWACP-GOSISDBHSA-N
MW381.52 g/mol
LogP3.43
Rot. Bonds4

About [4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone

[4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone (PubChem CID 97149202) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is [4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
PubChem CID97149202
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name[4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
SMILESC[C@H](C1CCN(C(=O)c2ccc(-c3ccco3)cc2)CC1)N1CCN(C)CC1
InChIInChI=1S/C23H31N3O2/c1-18(25-15-13-24(2)14-16-25)19-9-11-26(12-10-19)23(27)21-7-5-20(6-8-21)22-4-3-17-28-22/h3-8,17-19H,9-16H2,1-2H3/t18-/m1/s1
InChIKeyQCGFOSVTTCWACP-GOSISDBHSA-N
XLogP3.43
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 174919196
[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 70705426
1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 97134600
[4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 71690162
ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate
CID 71690378
[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 70743628
[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70771527
(2-ethylpyrazol-3-yl)-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 97156808
(2-ethylpyrazol-3-yl)-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70788415
3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone
CID 35396832
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
propan-2-yl 4-(furan-2-yl)benzoate
CID 168528785

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone (CID 97149202) is [4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone is C[C@H](C1CCN(C(=O)c2ccc(-c3ccco3)cc2)CC1)N1CCN(C)CC1.
What is the InChIKey of [4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
The InChIKey is QCGFOSVTTCWACP-GOSISDBHSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-18(25-15-13-24(2)14-16-25)19-9-11-26(12-10-19)23(27)21-7-5-20(6-8-21)22-4-3-17-28-22/h3-8,17-19H,9-16H2,1-2H3/t18-/m1/s1.
What are the key properties of [4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
[4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone has a molecular weight of 381.52 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 97149202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).