1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone

C21H29N3O2 — CID 97134600

IUPAC1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
SMILESC[C@H](C1CCN(C(=O)c2ccc3occc3c2)CC1)N1CCN(C)CC1
InChIInChI=1S/C21H29N3O2/c1-16(23-12-10-22(2)11-13-23)17-5-8-24(9-6-17)21(25)19-3-4-20-18(15-19)7-14-26-20/h3-4,7,14-17H,5-6,8-13H2,1-2H3/t16-/m1/s1
InChIKeyVBILJDHVVGPSBU-MRXNPFEDSA-N
MW355.48 g/mol
LogP2.92
Rot. Bonds3

About 1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone

1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone (PubChem CID 97134600) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
PubChem CID97134600
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
SMILESC[C@H](C1CCN(C(=O)c2ccc3occc3c2)CC1)N1CCN(C)CC1
InChIInChI=1S/C21H29N3O2/c1-16(23-12-10-22(2)11-13-23)17-5-8-24(9-6-17)21(25)19-3-4-20-18(15-19)7-14-26-20/h3-4,7,14-17H,5-6,8-13H2,1-2H3/t16-/m1/s1
InChIKeyVBILJDHVVGPSBU-MRXNPFEDSA-N
XLogP2.92
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzofuran-5-yl-[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-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 97149202
1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
CID 141096620
[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 70705426
[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70771527
[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 70743628
1,3-benzodioxol-5-yl-[4-[(1S)-1-cyclopropylethyl]piperazin-1-yl]methanone
CID 129370589
(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-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 70715383
(1-ethylindol-5-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 95896712
1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one
CID 95873949
(1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 125169053

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone (CID 97134600) is 1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone is C[C@H](C1CCN(C(=O)c2ccc3occc3c2)CC1)N1CCN(C)CC1.
What is the InChIKey of 1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
The InChIKey is VBILJDHVVGPSBU-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16(23-12-10-22(2)11-13-23)17-5-8-24(9-6-17)21(25)19-3-4-20-18(15-19)7-14-26-20/h3-4,7,14-17H,5-6,8-13H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone has a molecular weight of 355.48 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 97134600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).