[1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

C21H25N3O3 — CID 35503421

IUPAC[1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C21H25N3O3/c25-20(24-13-11-22(12-14-24)19-4-2-1-3-5-19)17-6-9-23(10-7-17)21(26)18-8-15-27-16-18/h1-5,8,15-17H,6-7,9-14H2
InChIKeyKKSHMAUWOQXGND-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.48
Rot. Bonds3

About [1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

[1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 35503421) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is [1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID35503421
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name[1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C21H25N3O3/c25-20(24-13-11-22(12-14-24)19-4-2-1-3-5-19)17-6-9-23(10-7-17)21(26)18-8-15-27-16-18/h1-5,8,15-17H,6-7,9-14H2
InChIKeyKKSHMAUWOQXGND-UHFFFAOYSA-N
XLogP2.48
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(furan-3-carbonyl)piperidin-4-yl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537131
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
furan-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048919
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110754124
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
2-[4-[1-(furan-3-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890852
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 1331173
[1-(furan-3-carbonyl)piperidin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 35705960
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
oxan-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853203
(4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone
CID 53006795

Frequently Asked Questions

What is the IUPAC name of [1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 35503421) is [1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccoc1)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of [1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is KKSHMAUWOQXGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-20(24-13-11-22(12-14-24)19-4-2-1-3-5-19)17-6-9-23(10-7-17)21(26)18-8-15-27-16-18/h1-5,8,15-17H,6-7,9-14H2.
What are the key properties of [1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 367.45 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 35503421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).