[4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone

C29H29N3O3 — CID 46880211

IUPAC[4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(N2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)CC1
InChIInChI=1S/C29H29N3O3/c33-28(26-10-5-19-35-26)31-13-11-23(12-14-31)30-15-17-32(18-16-30)29(34)27-24-8-3-1-6-21(24)20-22-7-2-4-9-25(22)27/h1-10,19-20,23H,11-18H2
InChIKeyRXUCYGRFNVMPMN-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.65
Rot. Bonds3

About [4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone

[4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 46880211) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is [4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID46880211
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC Name[4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(N2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)CC1
InChIInChI=1S/C29H29N3O3/c33-28(26-10-5-19-35-26)31-13-11-23(12-14-31)30-15-17-32(18-16-30)29(34)27-24-8-3-1-6-21(24)20-22-7-2-4-9-25(22)27/h1-10,19-20,23H,11-18H2
InChIKeyRXUCYGRFNVMPMN-UHFFFAOYSA-N
XLogP4.65
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone (CID 46880211) is [4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC(N2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)CC1.
What is the InChIKey of [4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is RXUCYGRFNVMPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c33-28(26-10-5-19-35-26)31-13-11-23(12-14-31)30-15-17-32(18-16-30)29(34)27-24-8-3-1-6-21(24)20-22-7-2-4-9-25(22)27/h1-10,19-20,23H,11-18H2.
What are the key properties of [4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone?
[4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 467.57 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 46880211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).