[4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclopentylmethanone

C30H35N3O2 — CID 46880210

IUPAC[4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclopentylmethanone
SMILESO=C(c1c2ccccc2cc2ccccc12)N1CCN(C2CCN(C(=O)C3CCCC3)CC2)CC1
InChIInChI=1S/C30H35N3O2/c34-29(22-7-1-2-8-22)32-15-13-25(14-16-32)31-17-19-33(20-18-31)30(35)28-26-11-5-3-9-23(26)21-24-10-4-6-12-27(24)28/h3-6,9-12,21-22,25H,1-2,7-8,13-20H2
InChIKeyUHKVJBXGKOUYSF-UHFFFAOYSA-N
MW469.63 g/mol
LogP4.93
Rot. Bonds3

About [4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclopentylmethanone

[4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclopentylmethanone (PubChem CID 46880210) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is [4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclopentylmethanone
PubChem CID46880210
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC Name[4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclopentylmethanone
SMILESO=C(c1c2ccccc2cc2ccccc12)N1CCN(C2CCN(C(=O)C3CCCC3)CC2)CC1
InChIInChI=1S/C30H35N3O2/c34-29(22-7-1-2-8-22)32-15-13-25(14-16-32)31-17-19-33(20-18-31)30(35)28-26-11-5-3-9-23(26)21-24-10-4-6-12-27(24)28/h3-6,9-12,21-22,25H,1-2,7-8,13-20H2
InChIKeyUHKVJBXGKOUYSF-UHFFFAOYSA-N
XLogP4.93
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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]-cyclopentylmethanone?
The IUPAC name of [4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclopentylmethanone (CID 46880210) is [4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclopentylmethanone is O=C(c1c2ccccc2cc2ccccc12)N1CCN(C2CCN(C(=O)C3CCCC3)CC2)CC1.
What is the InChIKey of [4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclopentylmethanone?
The InChIKey is UHKVJBXGKOUYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c34-29(22-7-1-2-8-22)32-15-13-25(14-16-32)31-17-19-33(20-18-31)30(35)28-26-11-5-3-9-23(26)21-24-10-4-6-12-27(24)28/h3-6,9-12,21-22,25H,1-2,7-8,13-20H2.
What are the key properties of [4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclopentylmethanone?
[4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclopentylmethanone has a molecular weight of 469.63 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 46880210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).